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  • Artikel  (6.442)
  • Springer  (6.378)
  • Annual Reviews
  • 2005-2009
  • 1990-1994  (4.075)
  • 1980-1984  (2.367)
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  • 1980  (2.367)
  • Geologie und Paläontologie  (6.442)
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  • 2005-2009
  • 1990-1994  (4.075)
  • 1980-1984  (2.367)
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  • 1
    Digitale Medien
    Digitale Medien
    Cratering Mechanics-Observational, Experimental, and Theoretical (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 65-93 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.000433
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  • 2
    Digitale Medien
    Digitale Medien
    The Dynamics of Sudden Stratospheric Warmings (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 169-190 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001125
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  • 3
    Digitale Medien
    Digitale Medien
    Seismic Reflection Studies of Deep Crustal Structure (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 205-230 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001225
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  • 4
    Digitale Medien
    Digitale Medien
    Fracture Mechanics Applied to the Earth's Crust (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 489-525 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.002421
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  • 5
    Digitale Medien
    Digitale Medien
    Evolutionary Patterns in Early Cenozoic Mammals (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 407-424 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.002203
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  • 6
    Digitale Medien
    Digitale Medien
    The Moons of Mars (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 527-558 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.002523
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  • 7
    Digitale Medien
    Digitale Medien
    Affairs of the Sea (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 1-17 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.000245
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  • 8
    Digitale Medien
    Digitale Medien
    Heat Flow and Hydrothermal Circulation (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 95-117 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.000523
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  • 9
    Digitale Medien
    Digitale Medien
    The Equatorial Undercurrent Revisited (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 191-204 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001203
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  • 10
    Digitale Medien
    Digitale Medien
    Satellite Sensing of Ocean Surface Dynamics (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 303-342 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001511
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  • 11
    Digitale Medien
    Digitale Medien
    Origin and Evolution of Planetary Atmospheres (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 425-487 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.002233
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  • 12
    Digitale Medien
    Digitale Medien
    Geochemistry of Evaporitic Lacustrine Deposits (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 35-63 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.000343
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  • 13
    Digitale Medien
    Digitale Medien
    Archean Sedimentation (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 145-167 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001045
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  • 14
    Digitale Medien
    Digitale Medien
    Geomorphological Processes on Terrestrial Planetary Surfaces (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 231-261 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001311
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  • 15
    Digitale Medien
    Digitale Medien
    Quaternary Deep-Sea Benthic Foraminifers and Bottom Water Masses (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 343-370 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.002015
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  • 16
    Digitale Medien
    Digitale Medien
    Platform Basins (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 17-34 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.000313
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  • 17
    Digitale Medien
    Digitale Medien
    Deformation of Mantle Rocks (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 119-144 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001003
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  • 18
    Digitale Medien
    Digitale Medien
    Geologic Pressure Determinations from Fluid Inclusion Studies (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 263-301 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.001403
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  • 19
    Digitale Medien
    Digitale Medien
    Rare Earth Elements in Petrogenetic Studies of Igneous Systems (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 371-406 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.002103
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  • 20
    Digitale Medien
    Digitale Medien
    Refractory Inclusions in the Allende Meteorite (1980)
    Palo Alto, Calif. : Annual Reviews
    Annual Review of Earth and Planetary Sciences 8 (1980), S. 559-608 
    Details
    ISSN: 0084-6597
    Quelle: Annual Reviews Electronic Back Volume Collection 1932-2001ff
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1146/annurev.ea.08.050180.003015
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  • 21
    Digitale Medien
    Digitale Medien
    Cost-effective network design for groundwater flow monitoring (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 27-41 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Groundwater monitoring networks ; Information reliability ; Information scales ; Kalman filtering in groundwater
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract The extensive use of groundwater resources has increased the need for developing cost-effective monitoring networks to provide an indication of the degree to which the subsurface environment has been affected by human activities. This study presents a cost-effective approach to the design of groundwater flow monitoring networks. The groundwater network design is formulated with two problem formats: maximizing the statistical monitoring power for specified budget constraint and minimizing monitoring cost for statistical power requirement. The statistical monitoring power constraint is introduced with an information reliability threshold value. A branch and bound technique is employed to select the optimal solution from a discrete set of possible network alternatives. The method is tested to the design of groundwater flow monitoring problem in the Pomona County, California.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01547730
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  • 22
    Digitale Medien
    Digitale Medien
    Probabilistic modeling of aerated lagoons: A comparison of methodologies (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 65-81 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Lagoons ; Ponds ; Facultative ; First-order kinetics ; Complete mixing ; Probabilistic ; Uncertainty ; Environmental ; Stochastic differential equations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract Two stochastic models are developed to describe the BOD output (i.e. effluent) variation of facultative aerated lagoons in series. One of the models uses the uncertainty analysis (UA) technique and the other is based on the moment equation solution methodology of stochastic differential equations (SDE's). The former considers a second-order approximation of the expectation (SOAE) and a first-order approximation of the variance (FOAV). The SDE model considers that output variability is accounted for by random variations in the rate coefficient. Comparisons are provided. Calibration and verification of the two models are aciieved by using field observations from two different lagoon systems in series. The predictive performances of the two models are compared with each other and with another SDE model, presented in a previous paper, that considers input randomness. The three methods show similar predictive performances and provide good predictions of the mean and standard deviation of the lagoon effluent BOD concentrations and thus are considered as appropriate methodologies.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01547733
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  • 23
    Digitale Medien
    Digitale Medien
    Estimation of the annual maximum distribution from samples of maxima in separate seasons (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 89-103 
    Details
    ISSN: 1436-3259
    Schlagwort(e): maximum precipitation depths ; extreme-value distributions ; seasonal variation ; partial duration series ; model misspecification
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract Quantile estimates of the annual maximum distribution can be obtained by fitting theoretical distributions to the maxima in separate seasons, e.g. to the monthly maxima. In this paper, asymptotic expressions for the bias and the variance of such estimates are derived for the case that the seasonal maxima follow a Gumbel distribution. Results from these expressions are presented for a situation with no seasonal variation and for maximum precipitation depths at Uccle/Ukkel (Belgium). It is shown that the bias is often negligible and that the variance reduction by using seasonal maxima instead of just the annual maxima strongly depends on the seasonal variation in the data. A comparison is made between the asymptotic standard error of quantile estimates from monthlymaxima with those from a partial duration series. Much attention is paid to the effect of model misspecification on the resulting quantile estimates of the annual maximum distribution. The use of seasonal maxima should be viewed with caution when the upper tail of this distribution is of interest.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543284
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  • 24
    Digitale Medien
    Digitale Medien
    Parameter identification in tidal models with uncertain boundary conditions (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 193-208 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Stochastic tidal modeling ; parameter identification ; model calibration
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract In this paper a parameter estimation algorithm is developed to estimate uncertain parameters in two dimensional shallow water flow models. Since in practice the open boundary conditions of these models are usually not known accurately, the uncertainty of these boundary conditions has to be taken into account to prevent that boundary errors are interpreted by the estimation procedure as parameter fluctuations. Therefore the open boundary conditions are embedded into a stochastic environment and a constant gain extended Kalman filter is employed to identify the state of the system. Defining a error functional that measures the differences between the filtered state of the system and the measurements, a quasi Newton method is employed to determine the minimum of this functional. To reduce the computational burden, the gradient of the criterium that is required using the quasi Newton method is determined by solving the adjoint system.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543083
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  • 25
    Digitale Medien
    Digitale Medien
    On the distribution of flood volume in partial duration series analysis of flood phenomena (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 217-226 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Exponential distribution ; bivariate exponential distribution ; distribution of flood volume ; partial duration series
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract A methodology based on the theory of stochastic processes is applied to the analysis of floods. The approach will be based on some results of the theory of extreme values over a threshold. In this paper, we focus on the estimation of the distribution of the flood volume in partial duration series analysis of flood phenomena, by using a bivariate exponential distribution of discharge exceedances and durations over a base level.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543085
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  • 26
    Digitale Medien
    Digitale Medien
    Editorial note (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 254-254 
    Details
    ISSN: 1436-3259
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01544080
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  • 27
    Digitale Medien
    Digitale Medien
    Rehabilitation and replacement of water distribution system components considering uncertainties (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 277-294 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Water distribution ; optimization ; nonlinear programming ; integer programming ; chance constraints ; rehabilation
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract This paper presents the mathematical development of an integer — nonlinear programming chance — constrained optimization model for the minimum cost rehabilitation/replacement of water distribution system components. Particular attention is given to the handling of uncertainties in the roughness factors and the loading conditions including both the random demand and preassure head requirements. The advantages of the proposed model include the ability to: 1) handle the optimal timing of rehabilitation/replacement for water distribution system components; 2) link a mixed-integer linear program solver, a nonlinear program solver, and a hydraulic simulator into an optimization framework; 3) handle the uncertainties of some of the variables; 4) incorporate various kinds of cost functions; and 5) handle multiple loading conditions.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01544082
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  • 28
    Digitale Medien
    Digitale Medien
    Assessment of reliability in water distribution networks using entropy based measures (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 309-320 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Entropy ; reliability ; redundancy ; water distribution networks ; nodal pair reliability
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract Entropy based expressions for measurement of reliability and redundancy have recently been reported. These measures approach assessment of the reliability of the distribution network from the intrinsic redundancy of the network layout. The paper extends earlier work on entropy functions by including a more explicit statement of the alternate paths available in the network and by recognizing that under certain circumstances, e.g., failure of some part of the network work, an outflow link from a node under normal working condition may become an inflow link to the same node. The measures are assessed by comparison with parameters measuring Nodal Pair Reliability and percentage of flow supplied at adequate pressure for a range of networks and link failure conditions in this networks. The entropy measures are shown to reflect changes in the network reliability, as measured by these two comparative parameters, very well.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01544084
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  • 29
    Digitale Medien
    Digitale Medien
    Inverse methods for subsurface flow: A critical review of stochastic techniques (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 1-26 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Inverse ; calibration ; estimation ; groundwater flow
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract The development of stochastic methods for groundwater flow representation has undergone enormous expansion in recent years. The calibration of groundwater models, the inverse problem, has lately received comparable attention especially and almost exclusively from the stochastic perspective. In this review we trace the evolution of the methods to date with a specific view toward identifying the most important issues involved in the usefulness of the approaches. The methods are critiqued regarding practical usefulness, and future directions for requisite study are discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01547729
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  • 30
    Digitale Medien
    Digitale Medien
    Bayes estimate of the probability of exceedance of annual floods (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 55-64 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Predictive distribution ; Bayesian approximation ; parameter uncertainty ; non-informative prior ; method of moments ; Gumbel distribution ; maximum likelihood estimates
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract In this paper Lindley's Bayesian approximation procedure is used to obtain the Bayes estimate of the probability of exceedence of a flood discharge. The Bayes estimates of the probability of exceedence has been shown by S.K. Sinha to be equivalent to the estimate of the probability of exceedence from the predictive or Bayesian disribution, of a future flood discharge. The evaluation of complex ratios of multiple integrals common in a Bayesian analysis is not necessary using Lindley's procedure. The Bayes estimates are compared to those obtained by the method of maximum likelihood and the method of moments. The results show that Bayes estimates of the probability of exceedence are larger as expected, but have smaller posterior standard deviations.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01547732
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  • 31
    Digitale Medien
    Digitale Medien
    Identification of wind stress on shallow water surfaces by optimal smoothing (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 105-119 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Kalman filtering ; Optimal smoothing ; Shallow water equations ; Wind stress ; On-line prediction
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract Using the state space approach, an on-line filter procedure for combined wind stress identification and tidal flow forecasting is developed. The stochastic dynamic approach is based on the linear twodimensional shallow water equations. Using a finite difference scheme, a system representation of the model is obtained. To account for uncertainties, the system is embedded into a stochastic environment. By employing a Kalman filter, the on-line measurements of the water-level available can be used to identify and predict the shallow water flow. Because it takes a certain time before a fluctuation in the wind stress can be noticed in the water-level measurements, an optimal fixed-lag smoother is used to identify the stress.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543285
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  • 32
    Digitale Medien
    Digitale Medien
    Advanced use into rainfall prediction of three-dimensionally scanning radar (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 135-150 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Radar ; rainfall prediction ; real-time prediction
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract A computational method for the determination of rainfall distribution for applications in short term rainfall prediction is presented here. The method is strongly influenced by the experience gained from the observation and analysis of data gathered on a heavy rainfall event in 1986 that occurred during the Baiu Season in Japan. The method is based on the concept that rainfall occurs as an interaction between an instability field, appropriately modeled, and a field of water vapor under the influence of topography. The results from this computational method showed good agreement with the temporal variation in the rainband that moved across the observation field in 1986. Towards determination of the parameters in the computational model, another method for the determination of the rainfield is also developed. This second method determines the rainfall distribution from estimation of the conversion rate of water vapor to liquid water through use of data from a three dimensional scanning radar. The results are consistent with those obtained from the first method.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543287
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  • 33
    Digitale Medien
    Digitale Medien
    Development of the instantaneous unit hydrograph using stochastic differential equations (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 151-160 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Instantaneous Unit Hydrograph ; Conceptual models ; Stochastic differential equations
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract Recognizing that simple watershed conceptual models such as the Nash cascade ofn equal linear reservoirs continue to be reasonable means to approximate the Instantaneous Unit Hydrograph (IUH), it is natural to accept that random errors generated by climatological variability of data used in fitting an imprecise conceptual model will produce an IUH which is random itself. It is desirable to define the random properties of the IUH in a watershed in order to have a more realistic hydrologic application of this important function. Since in this case the IUH results from a series of differential equations where one or more of the uncertain parameters is treated in stochastic terms, then the statistical properties of the IUH are best described by the solution of the corresponding Stochastic Differential Equations (SDE's). This article attempts to present a methodology to derive the IUH in a small watershed by combining a classical conceptual model with the theory of SDE's. The procedure is illustrated with the application to the Middle Thames River, Ontario, Canada, and the model is verified by the comparison of the simulated statistical measures of the IUH with the corresponding observed ones with good agreement.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543288
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  • 34
    Digitale Medien
    Digitale Medien
    Flow through anisotropic networks (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 175-191 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Flow through porous media ; random network ; macro-permeability ; micro-geometry ; statistical mechanics ; anisotropy
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract This paper presents an analysis of Hagen-Poiseulle flow through plane random anisotropic networks of interconnected channels. Macroscopic permeability tensor of the network is expressed in terms of statistico-geometrical characteristics like the degree of anisotropy in channel orientations, average co-ordination number of the network and first two moments of channel length distribution. Analytical results are illustrated and verified using numerical analysis of flow in a simulated random network. The emphasis of the paper is on the effects of anisotropy on distributions of flow rates in channels. It is shown that, due to anisotropy the maximum flow rate generally occurs in channels that are not aligned along the direction of the macroscopic pressure gradient.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543082
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  • 35
    Digitale Medien
    Digitale Medien
    Editorial (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 253-254 
    Details
    ISSN: 1436-3259
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01544079
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  • 36
    Digitale Medien
    Digitale Medien
    Predicting cumulative sediment depostition in large reservoirs (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 241-251 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Sedimentation ; Large Reservoirs ; Markov Chains
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract Sediment deposition and its accumulation in a large resorvoir depends on the inflow and reservoir storage content, respectively. Because of this fact it is possible to model the cumulative deposition of sediment as an additive process defined on a bivariate Markov chain. Using the bivariate Markov chain model the mean and variance of the cumulative deposition of John Martin Reservoir, Colorado, U.S.A. are estimated and compared with observed sedimentation data.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543087
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  • 37
    Digitale Medien
    Digitale Medien
    On the optimal risk based design of highway drainage structures (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 295-308 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Risk-based design ; uncertainty analysis ; hydraulic design ; bridge ; culvert
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract For a proposed highway bridge or culvert, the total cost to the public during its expected service life includes capital investment on the structures, regular operation and maintenance costs, and various flood related costs. The flood related damage costs include items such as replacement and repair costs of the highway bridge or culvert, flood plain property damage costs, users costs from traffic interruptions and detours, and others. As the design discharge increases, the required capital investment increases but the corresponding flood related damage costs decrease. Hydraulic design of a bridge or culvert using a riskbased approach is to choose among the alternatives the one associated with the least total expected cost. In this paper, the risk-based design procedure is applied to pipe culvert design. The effect of the hydrologic uncertainties such as sample size and type of flood distribution model on the optimal culvert design parameters including design return period and total expected cost are examined in this paper.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01544083
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  • 38
    Digitale Medien
    Digitale Medien
    A model for the generation of simultaneous daily discharges of two rivers at their point of confluence (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 255-276 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Stochastic hydrologic process ; daily discharges ; correlated generation ; simulation
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract A geomorphological study at the confluence of the Danube and the Isar in Bavaria required long series of daily discharges in both rivers. A model that generates simultaneous correlated streamflows in both rivers was developed and tested. The model is a modified shot noise model, first developed by Treiber (1975) for a single river, that was adapted to two rivers. It generates correlated pulses of events that produce flow for each river, and these pulses are then convoluted with a river specific systems function. The model, after being calibrated for the two rivers on the basis of 85 years of records, yields artificial series of discharges, in which the statistical properties of the historical records are reproduced. The performance of the model was tested with 20 generated series each 100 years long.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01544081
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  • 39
    Digitale Medien
    Digitale Medien
    Errata toBuishand, T. A. andDemarée, G. R.: Estimation of the annual maximum distribution from samples of maxima in separate seasons. Stochastic Hydrol. Hydraul.4 (1900) 89–103 (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 321-321 
    Details
    ISSN: 1436-3259
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01544085
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  • 40
    Digitale Medien
    Digitale Medien
    Accuracy assessment of optimum interpolation in multichannel precipitation analysis (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 43-53 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Missing data ; Interpolation in hydrology ; Multichannel precipitation time series ; Spectral analysis
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract The accuracy of an optimum interpolation technique in filling missing values in multichannel (or multisite) hydrologic series containing time-coincident data gaps is examined. The applied methodology is based on the maximum entropy method (MEM) of spectral estimation or multivariate autoregressive modeling and heavily depends upon the properties of multichannel prediction error filter (PEF). Six precipitation time series spatially located within a hydrologic basin are used and time-coincident artificial gaps are created in all six series. The performance of the technique is assessed by comparing the filled-in series to the observed and by employing spectral analysis. The results reveal the usefulness of the method in multichannel hydrologic analysis.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01547731
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  • 41
    Digitale Medien
    Digitale Medien
    Technical comments (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 83-88 
    Details
    ISSN: 1436-3259
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01547734
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  • 42
    Digitale Medien
    Digitale Medien
    Gaussianity and linearity tests of hydrologic time series (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 121-134 
    Details
    ISSN: 1436-3259
    Schlagwort(e): Hydrologic time series ; Linearity ; Gaussianity ; Hinich's test
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract Although the non-Gaussian nature of many hydrologic time series is well recognized and their nonlinearity is suspected, neither property is well tested. This situation has existed partly because of a lack of appropriate tests. Recently Hinich (1982) has developed a test to test the linearity of time series which is based on the bispectral characteristics of the series. This test is used in this study to investigate the linearity and non-Gaussian characteristics of annual and daily rainfall and runoff series. The annual series may be modeled by linear models with Gaussian inputs. The daily data, on the other hand, often demonstrate nonlinear characteristics and are non-Gaussian as well.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543286
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  • 43
    Digitale Medien
    Digitale Medien
    Stochastic modelling of dispersion in shallow water (1990)
    Springer
    Stochastic environmental research and risk assessment 4 (1990), S. 161-174 
    Details
    ISSN: 1436-3259
    Schlagwort(e): advection-diffusion equation ; random walk model ; random flight model ; stochastic differential equation ; Fokker-Planck equation
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Architektur, Bauingenieurwesen, Vermessung , Energietechnik , Geographie , Geologie und Paläontologie
    Notizen: Abstract A random walk model to describe the dispersion of pollutants in shallow water is developed. By deriving the Fokker-Planck equation, the model is shown to be consistent with the two-dimensional advection-diffusion equation with space-varying dispersion coefficient and water depth. To improve the behaviour of the model shortly after the deployment of the pollutant, a random flight model is developed too. It is shown that over long simulation periods, this model is again consistent with the advection-diffusion equation. The various numerical aspects of the implementation of the stochastic models are discussed and finally a realistic application to predict the dispersion of a pollutant in the Eastern Scheldt estuary is described.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01543289
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  • 44
    Digitale Medien
    Digitale Medien
    Binding of alkaline earth metal ions to nucleotides: crystal structure of a hydrated strontium salt of inosine-5′-monophosphate (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 19-30 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Crystals of Sr2+ (C10H11PN4O8)2− · 6.5H2O are orthorhombic, space groupP212121, witha = 21.925(1),b = 21.503(1),c = 8.600(1) Å, and eight formula weights per unit cell. A trial structure was obtained by Patterson, superposition, and Fourier techniques and was refined by full-matrix least-squares calculations using absorption-corrected, CuKα, diffractometer data. The finalR index is 0.032. A strontium ion is coordinated to N(7), the site that is often involved in the binding of transition metals to purine nucleotides. Strontium ions are also directly coordinated to a phosphate-oxygen atom and to ribose-hydroxyl groups. These direct interactions are accompanied by a number of outer-sphere, water-mediated contacts of strontium ions with various acceptor sites on the nucleotides.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01209550
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  • 45
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of dichloro(R(+)-N,N,N′,N′-tetramethyl-1,2-propylenediamine)cobalt(II) (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 55-60 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structure of the title complex [Co(R-Me4pn)Cl2] has been determined by single-crystal X-ray analysis and refined by least-squares methods based on diffractometer data (1224 counter intensities,R = 0.044). The blue crystals are orthorhombic, space groupP212121, withZ = 4,a = 8.254(3),b = 10.926(4) andc = 13.584(5) Å. The cobalt(II) ion has a distorted tetrahedral coordination geometry with N-Co-N 87.8 ° and Cl-Co-Cl 118.5 °. The observed distortions are compared with those reported for analogous quasitetrahedral [M(II)(diamine)(dihalide)] complexes.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01387365
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  • 46
    Digitale Medien
    Digitale Medien
    Crystal structure of dicyanatobis(pyridinato)-copper(II) (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 61-66 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of dicyanatobis(pyridinato)copper(II), C12H5CuN4O2, was determined from 658 X-ray diffraction data obtained by the θ-2θ scanning technique with MoKα radiation on a SYNTEX P21 four-circle diffractometer. The blue crystals are tetragonal:I41/a,a = 15.649(3),c = 9.917(3) Å, andZ = 8. The structure was determined by the heavy-atom method and refined by full-matrix least squares toR = 7.1%. Nonhydrogen atoms were refined anisotropically, and the positional parameters of hydrogen atoms were calculated from geometrical considerations. The copper atom is planarlytrans coordinated by two nitrogen atoms from the NCO groups and two nitrogen atoms from the pyridine molecules. The oxygen atoms from two of the approximately linear NCO groups complete the Cu(II) coordination as a distorted octahedron. Through their oxygen and nitrogen atoms, the NCO groups link the metal atoms to the skeleton structure. The bond lengths are 1.15 and 1.18 Å for N-C and C-O, respectively, the N-C-O bond angle being 176.8 °. The bond lengths Cu-N in square-planar coordination are 1.95 and 2.05 Å, while the Cu-O bonds are out of plane and 2.61 Å in length.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01387366
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  • 47
    Digitale Medien
    Digitale Medien
    Book reviews (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 101-102 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01387371
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  • 48
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of 17-β-methyl-α-isolupanine perchlorate (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 75-81 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The formula of the title compound is C16H27ClN2O5,P21/a = 8.348(1),b = 10.127(1),c = 11.264(2) Å, β = 116.42(1) °,Z = 2,D x = 1.41 g cm−3,V c = 852.8(2) Å3,MW = 362.9, μ (CuKα) = 2.25 mm−1. The structure was solved by direct methods and refined by full-matrix least squares to anR value of 0.055 for 1197 reflections. The cation consists of twotrans quinolizidine systems. RingA is a distorted half-chair, and the remaining rings are chairs. The CH3 group attached to C(17) is in the axial position. There is a weak hydrogen bond between N(16) and O(2) of the ClO 4 − group with N(16) ... O(2) distance 2.968(7) Å.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01387368
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  • 49
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of dichlorofluoroacetamide (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 115-121 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of dichlorofluoroacetamide has been determined from three-dimensional counter data, and refined by full-matrix least-squares techniques. The crystals belong to the monoclinic space groupP21 /c and have the unit-cell parametersa = 10.207(4),b = 5.729(2),c = 9.971(4) Å, β = 105.21(8) °, andD x = 1.72 g cm-3. The structural refinement gave a finalR factor of 0.067 from 440 observed reflections. The compound has nearly equal disorder of the -Cl2F moiety about the C-C bond axis with occupancy factors of the two fragments being 0.48 and 0.52.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01237623
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  • 50
    Digitale Medien
    Digitale Medien
    Crystal structures of two local anesthetics: dibucaine · HCl · H2O and dimethisoquin · HCl · H2 O. II. Revised parameters, bond distances, and bond angles (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 157-161 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Corrected values of some of the positional parameters of the title compounds are presented, together with the revised molecular geometries. All of the changes in these are quite small; the original discussion of them (Hayward and Donohue, 1977) does require revision.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01237626
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  • 51
    Digitale Medien
    Digitale Medien
    Cesium diiododimethylaluminatep-xylene solvate: Change in space group (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 163-166 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Summary The crystal structure of thep-xylene solvate of diiododimethylaluminate was previously described and refined in the acentric space groupC2221 (Rogers and Atwood, 1979). It can be better described and more satisfactorily refined in the centric space groupCcmm.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01237627
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  • 52
    Digitale Medien
    Digitale Medien
    Relations between the phase angles of symmetry-related reflections (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 175-175 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01237630
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  • 53
    Digitale Medien
    Digitale Medien
    Crystal structure of μ-adeninatobis (methylmercury (II)) perchlorate monohydrate (1980)
    Springer
    Journal of chemical crystallography 10 (1980), S. 149-156 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound belongs to the triclinic space groupP¯1,a= 8.189 Å,b = 9.863 Å,c = 10.726 Å, α = 69.93 °, β = 68.62 °, γ = 73.66 °, andZ = 2. The structure was refined on 1337 observed reflections to anR factor of 0.042. The crystals contain [adeninato(CH3Hg)2]+ complex cations in which mercury is linearly bonded to N(7) and N(9) of a deprotonated adenine ring. Centrosymmetrically related complex cations are paired via two N(6)-H(6) ⋯ N(l) hydrogen bonds. Those planar units are stacked in the crystal with a distance of ∼ 3.4 Å between rings. The water molecule and the ClO4 -ion are involved in hydrogen bonding and Hg⋯O contacts. This structure identifies N(7) as the best residual coordination site after H(9) has been substituted by CH3Hg.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01237625
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  • 54
    Digitale Medien
    Digitale Medien
    Crystal structure of diheterolevulosan II: α-d-Fructofuranose-β-d-fructopyranose 1,2′:2,1′ dianhydride and molecular mechanics calculations on diheterolevulosan II and IV with chair and boat conformations of the central 1,4-dioxane ring (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 1-8 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract C12H20O10,M r=324.28, orthorhombic,P212121,a=9.4476(8),b=10.2247(8),c=13.5827(11) Å,V=1312.07(18) Å3,Z=4,D x=1.642 g cm−3, MoKα radiation (λ=0.71073 Å)μ=1.4 cm−1,F(000)=688,T=295 K, finalR=0.041 for 1089 reflections withI≥2.5σa(I). The molecule consists of aβ-d-fructopyranose and a α-d-fructofuranose ring which are linked by a 1,4-dioxane ring. The pyranose ring and the dioxane ring both have a chair conformation, and the furanose ring has an envelope conformation. All six hydroxyl groups act as donors in intermolecular hydrogen bonding. Each molecule is hydrogen-bonded to eight neighbor molecules by fourteen hydrogen bonds, forming a three-dimensional framework. The hydrogen bonds of varying geometry give rise to five sharp hydroxyl stretch vibrations in the infrared spectrum. In diheterolevulosan IV the central dioxane ring is a boat. Molecular mechanics calculations on diheterolevulosan II and IV having different boat and chair conformations of the dioxane ring show that the lowest energy conformations correspond to the conformations observed in the crystal structure. For comparison the calculations also have been applied to 1,4-dioxane having boat and chair conformations.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181668
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  • 55
    Digitale Medien
    Digitale Medien
    Anticancer agent development. 4. X-ray crystal structure and intermolecular crystal lattice interactions of methyltrans-4,5-dihydro-4-acetoxymethyl-5-(3,4,5-trimethoxyphenyl)-2-(3,4-methylenedioxyphenyl)-3-furancarboxylate (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 47-52 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound, C25H26O10,M r=486.48, crystallized from methanol in the acentric space group P21,2121, witha=7.617(3),b, 12.703(3),c=24.408(3) Å,V=2362 Å3,D calc=1.37 g cm−3 andμ=0.66 cm−1 forZ=4. Least-squares refinement of 1417 observed [F o≥5σ(F o)] reflections led to the final agreement index ofR=0.044. The observed structure reveals atrans relationship for the 4-acetoxymethyl and 5-aryl substituents. The 4,5-dihydrofuran ring system assumes a slight envelope conformation. Several intermolecular van der Waals interactions of note occur in this compound.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181674
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  • 56
    Digitale Medien
    Digitale Medien
    A speculation concerning the origin of long-range crystallographic order in polytypic and related crystals (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 59-67 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract It is suggested that long-range crystallographic order may be mediated by acoustic vibrations which have their origin in thermoacoustic phenomena and on which structural details exert a filter effect.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181676
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  • 57
    Digitale Medien
    Digitale Medien
    Structures of three isomeric ring-brominated PEA β-blockers: [C13H21BrNO3]+·Cl−, [C13H21BrNO3]+·[CH3SO3]−, and [C13H21BrNO3]+·[C2HO4]− (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 69-77 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The X-ray crystal structures of threeβ-blockers of the phenylethanolamine (PEA) class have been determined by single crystal techniques. They are (I): (±)-2-(2-bromo-3,4-dimethoxyphenyl)-2-hydroxy-N-isopropylethylamine hydrochloride; (II): (±)-2-(3-bromo-4,5-dimethoxyphenyl)-2-hydroxy-N-isopropylethylamine methylsulphonate; (III): (±)-2-(2-bromo-4,5-dimethoxyphenyl)-2-hydroxy-N-isopropylethylamine hydrogen oxalate. A conformational energy map of a partially hydrated model cation as a function of the principal torsion angles τ1 and τ2 shows the “transperpendicular” conformer (τ1≈90°, τ2≈180°) to be the most stable. This conformation is adopted by cations of (II) and (III) in their crystals, but for (I), τ1=52.3(6)° is observed. Non-bonded pharmacophoric distances lie within the expected ranges.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181677
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  • 58
    Digitale Medien
    Digitale Medien
    Crystal structures of isomorphous cadmium(II) and lead(II) oxalate trihydrates (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 99-104 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The isomorphous cadmium(II) oxalate trihydrate (I) and lead(II) oxalate trihydrate (II) crystals belong to space groupP¯1 withZ=2. The crystallographic parameters for compoundI are:a=6.006(1),b=6.663(1),c=8.497(1)Å,a=74.76(1),β=74.39(1), γ=80.94(1)°, andR=0.028 for 2643 observed MoKα reflections; forII:a=6.008(1),b=6.671(1),c=8.493(1)Å,a=74.70(1),β=74.33(1), γ=80.98(1)°, andR=0.065 for 4536 reflections. In the crystal structure, the metal atom is surrounded by seven oxygen atoms (including two aqua ligands) in the form of a distorted pentagonal bipyramid. The coordination polyhedra are interconnected through bridging oxalate groups to form a “thick layer” matching the (020) plane. Adjacent layers are further linked by hydrogen bonds involving both ligand and lattice water molecules to generate a three-dimensional network.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160959
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  • 59
    Digitale Medien
    Digitale Medien
    Low-temperature, high-resolution crystal structure study of tricyclo[3.3.1.13,7]decan-2-ol (adamantanol-2) (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 123-131 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structure of the title compound (C10H15OH) was determined by X-ray diffraction at liquid nitrogen temperature. The crystals are triclinic, spacegroupP¯1 witha=11.3686(5),b=11.3990(5),c=11.4353(6) Å,α=82.193(4),β=70.211(4) and γ=62.279(4)°,V c =1233.9(1) Å3,Z=6,F(000)=504,D x =1.229 g cm−3; MoKα radiation, λ=0.71073 Å,μ(MoKα)=0.7 cm−1. FinalR factor=0.046 andwR=0.062 for 8162 reflections withI〉2.5σ(I). The asymmetric unit consists of three independent adamantanol-2 molecules which together with the three symmetry-related molecules form a cluster having pseudo ¯3 symmetry. The six molecules in the cluster are connected by six O-H⋯O hydrogen bonds, the oxygens of which constitute an almost ideal chair conformation.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160963
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  • 60
    Digitale Medien
    Digitale Medien
    8-Thiatheophylline nitrato silver (I): Spectroscopic characterization and crystal structure (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 133-138 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract A new metal-theophylline derivative was synthesized from AgNO3 and 8-thiatheophylline. The thermal stability of the Ag(C6H6N4O2S)(NO3) complex was studied by TG and DSC techniques. The silver coordination has been discussed from IR,1H-NMR and13C-NMR spectra. The crystal structure was established by X-ray diffraction. Ag(TTH)(NO3) crystallizes in space groupP212121 witha=6.198(1),b=12.576(2),c=13.422(2) Å andZ=4. The structure was refined toR=0.032. This complex reveals interesting features in the coordination mode of the TTH ligand. The sulfur atom and the carbonyl groups are not involved in the coordination. Silver tetrahedral coordination occurs through N7 and N9 of two different TTH ligands (Ag-N7=2.422(3) Å; Ag-N9=2.356(2) Å) and through two oxygen atoms of two different nitrato groups (Ag-O=2.435(4) and 2.518(4) Å) giving a polymeric structure.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160964
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  • 61
    Digitale Medien
    Digitale Medien
    Molecular rearrangement of photoparthenin by BF3-etherate-acetic acid complex: X-ray crystal structure of a novel product (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 157-160 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structure of a novel compound,Iupac name: bicyclo [2.4.0]-octa-1,3-dimethyl-2,3-pentan-9-methylene-8, 10-butan-diolide, which resulted on treatment of photoparthenin with BF3-etherate acetic acid, has been established uniquely by X-ray crystallography. C15H18O4 is orthorhombic, space group P212121, with the cell dimensionsa=8.444(1),b=9.964(2),c=16.239(2) Å,V=1366.3(2) Å3,Z=4,M r =262.3,D o=1.29,D x=1.28 g cm−3, F(000)=560,T=293K,R=0.065 for 818 observed reflections. δ-lactone ring has a skew-boat, γ-lactone ring has an envelope, and the remaining six-membered ring has a distorted chair conformation. The four-membered ring is nonplanar. There are two intramolecular and one intermolecular short C-H⋯O interactions 2.819, 2.834, and 3.259 Å, respectively, which stabilize the crystal structure.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160968
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  • 62
    Digitale Medien
    Digitale Medien
    Carnosol. Crystal structure, absolute configuration, and spectroscopic properties of a diterpene (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 165-171 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structure and absolute configuration of naturally occurring Carnosol have been investigated by X-ray analyses. Crystal data are: orthorhombic P21212;a=15.762(1),b=13.755(1),c=7.7747(7) Å,Z=4,V=1688.2 Å3, andR=0.031 (2569 reflections). The absolute configuration is established at a significance level better than 0.995 according to HamiltonsR-factor test and is in accordance with that predicted experimentally by chemically means. Correlation of the solid-state IR pattern of the regions sensitive to hydrogen bonding (CO and OH stretching bands) with the X-ray crystal structure is excellent and shows, that even weak inter- and intramolecular hydrogen bonds may be unambiguously identified by IR spectroscopy. The variable-temperature nuclear magnetic resonance studies (NMR) show that the twinning of the signals from the isopropyl methyl protons cannot be due to hindered rotation but can be ascribed magnetic nonequivalence induced by the chiral centers.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160970
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  • 63
    Digitale Medien
    Digitale Medien
    Crystal structure of C11H18N2O2·HBr: Corrigendum (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 197-198 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160975
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  • 64
    Digitale Medien
    Digitale Medien
    Structure and IR spectroscopic properties ofN-methylmorpholinium pentachlorophenolate-pentachlorophenol (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 187-192 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of C5H11OND+C6Cl5O−·C6Cl5OD has been determined by X-ray diffraction. The crystals are triclinic:P¯1,a=9.443(7),b=7.534(6),c=18.05(2) Å,α=91.23(7),β=95.83(6), γ=110.67(6)°,Z=2. The structure was solved by direct methods, and refined toR=0.033 for 2779 non-zero reflections. The structure consists of theN-methylmorpholinium cations and deuterium bis(pentachlorophenolate) homoconjugated anions. The N+-D(1)⋯O(l)− and O(2)-D(2)⋯O(1)− bond lengths and angles are 2.654(4), 2.557(4) Å, and 171(4), 158(5)°, respectively.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160973
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  • 65
    Digitale Medien
    Digitale Medien
    Air-stable liquid clathrates. 1. Crystal structure of [NBu4][Br3] and reactivity of the [NBu4][Br3]·5 C6H6 liquid clathrate (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 199-201 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract [NBu4][Br3] interacts with C6H6 to form an air-stable liquid clathrate. The tribromide anion reacts with phenol to give para-bromophenol in〉95% yield. The HBr which is generated in the reaction combines with the Br− anion to form [Br-H-Br]−. The latter forms the basis for a new liquid clathrate, [NBu4][Br-H-Br]·n C6H6. The parent salt, [NBu4][Br3], crystallizes in the monoclinic space group C2/c witha=12.983(5),b=10.380(7),c=16.222(6) Å,β=93.93(3)°, andD c =1.47 g cm−3 forZ=4. The final R value is 0.068 based on 787 observed reflections.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160976
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  • 66
    Digitale Medien
    Digitale Medien
    X-ray crystal structure of bis(4-nitropyrazol-1-yl)methane, and some empirical rules concerning the bond angles in pyrazoles (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 233-244 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of bis(4-nitropyrazol-1-yl)methane has been determined by X-ray diffraction. The nitro groups form angles of 16.45(6) and 11.83(7)°, respectively, with the pyrazole ring to which they are attached. The internal and external angles of the pyrazole rings follow a set of empirical rules: (1) N(1)-N(2)-C(3) is smaller than N(2)-N(1)-C(5); (2) N(2)-C(3)-C(4) is larger than N(1)-N(2)-C(3) and at least one chosen between C(3)-C(4)-C(5) and C(4)-C(5)-N(1); (3) C3-C4-C5 is not the largest internal angle; (4) R1-N1-N2 is smaller than R1-N1-C5; (5) N2-C3-R3 is smaller than R3-C3-C4, or R5-C5-N1 is smaller than C4-C5-R5; (6) C3-C4-R4 and R4-C4-C5 are nearly the same. Provided that the angle considered is not part of another ring, the first five rules are valid for all the pyrazoles investigated up to now, while violation of the last rule is good evidence for steric hindrance or marked asymmetry of the 3- and 5-substituents.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01187248
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  • 67
    Digitale Medien
    Digitale Medien
    Structure of 2,2′-anhydro-3′-O-acetyl-2′thio-1-β-D-arabinofuranosylcytosine hydrochloride1 (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 251-259 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract 2,2′-Anhydro-3′-O-acetyl-2′-thio-1-β-D-arabinofuranosylcytosine hydrochloride crystallizes in space group P212121 witha=10.373(1),b=14.517(2),c=9.496(1) Å. Reflections were measured on a diffractometer and the structure was solved by direct methods. Least-squares refinement converged atR=0.056 andR w =0.063. The study of this crystal structure showed that the alterations in the geometry of 2,2′-anhydro-1-β-D-arabinofuranosylcytosine when the bridge oxygen is replaced by sulfur are localized in the region of the fused ring. The angle at the bridge atom decreases to nearly 90°, with concomitant enlargements of about 5°–7° in the angles opposite to the bridge atom. Angle C(1′)-N(1)-C(6) decreases by 4°. Also, the amount of double bond character in the bond formed by C(2) and the bridge atom decreases. A survey of the conformational features of S,2′-cyclonucleosides and comparison with O,2′-cyclonucleosidcs showed that their preferred conformations are the same. However, S,2′-cyclonucleosides exhibit a wider range of P and χ values. This correlates with a greater ease of the sulfur containing five-membered ring to pucker as compared to the oxygen-cyclo ring.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01187250
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  • 68
    Digitale Medien
    Digitale Medien
    Structure of 2,2′-bis(4-cyanatophenyl)isopropylidene (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 285-289 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound is monoclinic:a=13.345(3),b=11.393(2),c=10.046(5)Å,β=108.48(2)°,Z=4,P21/c. The structure was determined by direct methods, using MoKα diffractometer data, and refined by full-matrix least squares toR=0.045 for 1463 reflections. The structure shows a central tetrahedral carbon atom surrounded by two methyl and two phenylcyanate groups. The geometry of the cyanate group compares well with that in 4-chloro-3,5-dimethyl-phenyl cyanate, the only example of an organic cyanate in the Cambridge Crystallographic database (V.3). The intermolecular nitrile, C-N, distances were examined for evidence of a possible dimerization interaction; no significant distances were found.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01187255
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  • 69
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of the photocatalyst tris(2,2′-bipyrazine)ruthenium(II) hexafluorophosphate (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 321-325 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The X-ray structure determination of the complex tris(2,2′-bipyrazine)ruthenium(II) hexafluorophosphate, [Ru(C8N4H6)3](PF6)2, has shown that the compound crystallizes in the monoclinic space group P21/c witha=13.459(5),b=23.486(8),c=17.913(10) Å,β=139.85(1)°, andZ=4. Each asymmetric unit also contains one dimethylformamide and one water molecule. Least-squares refinement led to an R factor of 0.074 based on 3463 reflections for which I〉2σ(I). The [Ru(C8N4H6)3]2+ cation has no crystallographic symmetry, but the requirements for point symmetry 32 are nearly met. The six Ru-N bond lengths agree within experimental error and have an average length of 2.05(1) Å.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01274138
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  • 70
    Digitale Medien
    Digitale Medien
    A free-electron study of color vision (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 433-439 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The primary process of vision, consisting of photochemical isomerization ofcis totrans retinal, occurs at three different wavelengths to enable color vision. According to current evidence the successive red shifts to higher wavelength absorption is due to the relative displacement of ions in the vicinity of the chromophore. Free-electron modeling of the absorption spectrum shows that a relative displacement of the counter-ion, associated with the quaternary nitrogen, by 0.5 Å is sufficient to cause the red shift needed to cover the entire spectrum.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180110
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  • 71
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of cyclotriveratrylene (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 465-470 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Slow evaporation of a solution made from rigorously dried toluene and cyclotriveratrylene (CTV) has led to crystals of the guest-free CTV. These belong to the monoclinic space groupP21/n witha=12.582(3),b=9.575(5),c=19.738(5) Å,β=95.15(2)°;D c =1.26 g cm−3 forZ=4. Refinement based on 1708 observed reflections led toR=0.045. The nine-membered ring of the CTV has the expected crown conformation.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180114
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  • 72
    Digitale Medien
    Digitale Medien
    Crystal structure of a hydrogen-bonded triorganotin mercaptide: triphenyltin 5-amino-1,3,4-thiadiazolyl-2-thiolate (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 491-495 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180118
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  • 73
    Digitale Medien
    Digitale Medien
    Conformational study on aryl ketones: The structure of 2,6-dimethyl-1,5-di-(2-methyl)-propanoylnaphthalene (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 507-509 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract C20H24O2 (M r =296.4) crystallizes in the monoclinic system, space groupC2/c witha=24.154(4),b=8.001(2),c=12.751(3) Å;β=136.8(1)°;V=1686.9 Å3,Z=4,D c =1.17 g cm−3,μ(Cu-χα)=5.4 cm−1,λ=1.5418 Å,F(000)=640. The molecule in the solid state adopts a centrosymmetric geometry with the molecular center of symmetry coincident with a crystallographic center of symmetry. This fact forces the molecule to themeso conformation.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221888
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  • 74
    Digitale Medien
    Digitale Medien
    Preparation and crystal structure of diaquabis(1,8-naphthyridine-N-monoxide)nickel(II)nitrate (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 515-517 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound [Ni(napyo)2(H2O)2](NO3)2 was formed by the reaction of nickel(II) nitrate with 1,8-naphthyridine-N-monoxide (napyo) in ethanol medium. The complex crystallizes in the monoclinic, space groupP21/n withZ=2. Lattice parameters are:a=7.160(2),b=11.713(3),c=11.830(2) Å,β=95.11(3)°. The structure was determined from 1399 observed reflections and refined toR=0.061. The Ni atom shows a slightly distorted octahedral coordination, being bonded to two oxygen atoms and two nitrogen atoms of two napyo ligands and to two oxygen atoms of two water molecules.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221890
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  • 75
    Digitale Medien
    Digitale Medien
    Crystal structure determination of (1S,13bR)-1-amino-10-methoxy-1,2,7,8,13,13b-hexahydro-[1,6,2]oxathiazepino[2′,3′∶1,2]pyrido[3,4-b]indole monohydrate, C15H19N3O2S·H2O (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 313-317 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01187259
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  • 76
    Digitale Medien
    Digitale Medien
    Structural studies on benzothiadiazine derivatives: 3-aminomethyl-1,2,4-benzothiadiazine-1,1-dioxide and 6-aminomethyl-3-methyl-1,2,4-benzothiadiazine-1,1-dioxide hydrochloride monohydrate (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 457-463 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structures of 3-aminomethyl-1,2,4-benzothiadiazine-1, 1-dioxide (1) and 6-aminomethyl-3-methyl-1,2,4-benzothiadiazine-1,1-dioxide hydrochloride monohydrate (2) have been determined by X-ray crystal data. The benzothiadiazine ring is planar in (1), owing to space-group requirements, and almost planar in (2) with the sulfonyl group perpendicular to the rings. The isomer 4H is peculiar to structure, (2) while (1) contains both the 2H and the 4H isomers. In compound (1) the 4H isomers are connected in pairs through hydrogen bonding [N(4)-H(4)⋯N(3)I 1.88(8) Å], while compound (2) is dominated by a network of hydrogen bonding involving mainly the protonated N(3) nitrogen, the crystallized water molecule and the chlorine.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180113
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  • 77
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of 1,2,3,4,4aβ,5,6,7,7a,8,8a,9,9aβ,9b-tetradecahydro-4α,7aβ,9bα-trimethyl-6a, 8-methano-6aH-cyclopropa[b]phenanthrene-4-carboxylic acid (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 483-489 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180117
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  • 78
    Digitale Medien
    Digitale Medien
    Molecular and crystal structure of 3-(4-chlorophenylthio)-1-(2,4-dinitrophenylamino)-pyrrolidine-2,5-dione (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 535-539 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract 3-(4-Chlorophenylthio)-1-(2,4-dinitrophenylamino)-pyrrolidine-2,5-dione, C16H11N4C106S, was obtained in the addition reaction of 4-chlorobenzenethiol and 2,4-dinitrophenyl-aminomaleimide. It forms orthorhombic crystals; the finalR=0.048 for 1083 unique observed reflections. The molecule consists of three rigid rings connected by single bonds. A synclinal conformation of the terminal phenyl rings (A andC) with respect to the central pyrrolidine ring (B) is observed in the crystal, with ringsA andC close to one another. An intramolecular hydrogen bond N(2)⋯O(4) of 2.593(7) Å is observed. The structure of the title compound was also investigated by IR,1H-NMR and M.S.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221893
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  • 79
    Digitale Medien
    Digitale Medien
    The structural and spectroscopic properties of 2,4,6-trinitro-diphenylamine and 2,4,6-trinitro-N-methyl-diphenylamine (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 499-506 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structural properties of 2,4,6-trinitro-diphenylamine (I) and 2,4,6-trinitro-N-methyl-diphenylamine (II) are determined by single crystal diffractometry and refined toR factors of 0.0282 for (I) and 0.04213 for (II). (I) crystallizes in the monoclinic space groupP21/n,Z=4, witha=11.436(5),b=7.674(2),c=15.083(4) Å,β=106.47(2)°, and (II) inP21/c,Z=4, witha=12.654(5),b=7.371(1),c=15.083(4) Å,β=101.76(2)°. The amino nitrogens show in both cases bond distances and angles typical of an sp2 character. The presence of the proton on the amino nitrogen constrains ano-nitro group into a more planar geometry than that of the methyl derivative, uv/visible spectral data of both compounds are discussed. The methyl group on the amino nitrogen, of derivative (II) compared with that of (I) produces a relevant red shift which cannot be related to the simple differences in the geometry of the two molecules.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221887
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  • 80
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of μ-oxobis[bis(dipropyl dithiophosphato) oxomolybdenum(V)] (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 541-544 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound is triclinic, space group P¯1,a=10.670(5)b=13.053(3),c=8.944(5) Å,α=100.18(3),β=92.16(4),γ=80.88(3)°,Z=1,V=1210.4 Å3, andR=0.043 for 2579 reflections. The molecule has two distorted octahedra sharing a corner occupied by an oxygen (bridging) atom, the Mo-Ob-Mo angle being 180°. The two molybdenum-oxygen bond lengths Mo-Ob (bridging) and Mo-O1, (terminal) are 1.92 and 1.62 Å, respectively. Except the Mo-S bondtrans to the terminal oxygen atom which has a bond length 2.81 Å, all other Mo-S bonds have an average length of 2.50 Å.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221894
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  • 81
    Digitale Medien
    Digitale Medien
    The structure of β-(2)-nitrophenyl acrylonitrile (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 551-554 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structure of an important intermediate, IUPAC name: 2-(2′-nitrophenyl) acrylonitrile has been studied by X-ray crystallography. C9H6N2O2 is monoclinic, space groupP21/c with cell dimensionsa=7.045(1),b=10.011(1),c=12.016(1) Å,β=97.88(1)°,V=839.5(2) Å3,Z=4,M r =174.30,D 0=1-38(1),D x =1.39(1) g cm−3,F(000)=360,T=293 K, λ(CuKα)=1.5418 Å,μ=8.00 cm−1,R=0.034 for 987 observed reflections. The aromatic ring is nearly planar. The Nitro group is rotated out of the aromatic plane by 26.5(1)°. There are three C-H⋯O[3.469(3), 3.245(3), and 3.440(3) Å] and one C-H⋯N[3.561(3) Å] intermolecular interaction.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221896
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  • 82
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of Zoapatanolide B, a sesquiterpene lactone (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 571-576 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal and molecular structure of the natural product Zoapatanolide B has been determined by X-ray crystallographic analysis. The compound, obtained from the leaves ofMontanoa tomentosa, is a heliangolide sesquiterpene lactone. The two molecules of the asymmetric unit are linked together by hydrogen bonding and this results in conformational differences when the ester side chains (at C(9)) are compared.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221899
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  • 83
    Digitale Medien
    Digitale Medien
    Open-cyclic warfarin isomerism: 5-hydroxywarfarin (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 583-593 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Addition of a 5-hydroxy substituent to warfarin [3-(1-phenyl-3-oxobutyl)-4-hydroxycoumarin] shifts the solution equilibrium in chloroform to favor the open isomeric form over the two cyclic diastereomeric hemiketals. X-ray diffraction analysis reveals 5-hydroxywarfarin crystallizes as the open isomer in contrast to the more than 20 warfarin and analog structures which occur ascis ortrans hemiketal forms in the solid. The two peri hydroxyl groups in the structure of 3-(1-phenyl-3-oxobutyl)-4,5-dihydroxycoumarin are intramolecularly H-bonded. Methyl kctal derivatives of 5-hydroxywarfarin and a close analog effectively model the minor cyclic hemiketal forms in solution. Structures of bothcis andtrans cyclic methyl ketals of 3-(4-oxopent-2-yl)-4,5-dihydroxy-coumarin have been determined and the aryl hydroxyls H-bond to the dihydropyranyl ring oxygens of the cyclic ketals. Nuclear magnetic resonance studies suggest that these intramolecular H-bonds persist in chloroform solution. Infrared spectroscopy on the series of compounds in KBr pellets is consistent with the crystallographically determined structures and H-bonding schemes.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01221901
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  • 84
    Digitale Medien
    Digitale Medien
    Crystal structure and vibrational spectra of hydrazinium (2+) tri-μ-fluoro bis[pentafluorozirconate (IV)] fluoride and vibrational spectra of its hafnium analogue (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 9-15 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Monoclinic (N2H6)3Zr2F13·F crystallizes in space group P21-C 2 2 (No. 4) with unit cell dimensionsa=5.670(1),b=10.984(2),c=10.601(2) Å,β=93.88(1)°,V=658.7(4) Å3 andZ=2. Two different types of N2H6 2+ ions are present. One is involved in strong H-bonds to F− ions in infinite chains running along the a axis (the shortest N-F distance is 2.437(5) Å), and the other links the structure through weaker bi- and trifurcated H-bonds to fluorine ligands of the Zr2F13 5− ions. The N-N bond lengths range from 1.430(5) to 1.446(5) Å with apparently no meaningful correlation to the type of N2H2 2+ ions. The Zr2F13 5− ions have very nearly C2 point symmetry and are formed by joining two distorted bicapped trigonal prisms of ZrF8-units through a common face. Distances of Zr-F terminal bonds range from 2.015(2) to 2.112(2) Å and of bridging bonds from 2.133(2) to 2.212(2) Å. (N2H6)3Hf2F13·F is isomorphous. The vibrational spectra of the two compounds are nearly identical, with the exception of a strong infrared band, which is assigned to a stretching mode with the moving central atom within the anion. The anion part of the spectrum is simple, showing broad unresolved bands. The cation part shows two types of N2H6 – ions. H-Bonding is strongly present in the spectra, but no simple correlations with the H-bond strength is evident.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181669
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  • 85
    Digitale Medien
    Digitale Medien
    Polymeric and mixed carboxylate compounds: Crystal structure of [Zn(tiglate)0.54 (benzoate)1.46]x (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 17-22 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of [Zn(O2CC(CH3)CHCH3)0.54(O2CC6H5)1.46]x has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group P21/c witha=10.311(1),b=13.170(1),c=19.000(2) Å,β=91.895(7)°,V=2578.7 Å3,Z=4,D x=1.525g cm−3, λ(Mo Kα)=0.71073 Å,μ=1–95 mm−1, F(000)=1206,T=295K,R=0.046 for 4548 unique reflections. The two different carboxylates are randomly scrambled along a one dimensional polymer, made up of binuclear units connected by a syn-anti carboxylate bridge. Each binuclear unit contains three syn-syn carboxylates which bridge two zinc atoms. Vibrational data indicate that [Zn(O2CC(CH3)CHCH3)2]x has the same polymeric structure; orientation of tiglate is the same as for the mixed ligand compound. Recrystallization of mixed carboxylate species produces either an alteration in carboxylate ligand ratio, or a total separation of the two carboxylates, giving two different compounds.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181670
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  • 86
    Digitale Medien
    Digitale Medien
    Crystal structures of three methylmercury(II) complexes with thiazolidine-2-thione (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 23-30 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structures of three CH3Hg+ complexes with 1,3-thiazolidine-2-thione (HT) are reported. The cationic [(CH3Hg)HT]NO3 complex is monoclinic, space group P21/c,a=7.158(14),b=10.156(7),c=13.472(12) Å,β=108.21(4)°,Z=4. The structure was refined toR=0.045. The [(CH3Hg)HT]+ cation contains a CH3Hg+ group bonded to the exocyclic S atom of the ligand retaining its N-H proton. This proton is lost and the CH3Hg+ group remains bonded to sulfur in the neutral [(CH3Hg)T] compound (hexagonal, P63,a=13.502(8),c=6.984(7) Å,Z=6,R=0.027). The [(CH3Hg)2T]NO3 compound (monoclinic, C2/c,a=25.200(10),b=7.029(6),c=17.946(8),β=128.99(3)°,Z=8,R=0.047) contains complex cations in which the CH3Hg+ groups are bonded to N and the exocyclic S atom. This series of compounds shows that the exocyclic S atom is always the first target for the CH3Hg+ group, which is also found to bind to nitrogen in the 2:1 compound. No coordination is observed with the endocyclic S site, which does not even participate in intermolecular H-bonding or Hg⋯S contacts in the solids.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181671
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  • 87
    Digitale Medien
    Digitale Medien
    Novel manganese(III) oxidation chemistry: X-ray crystal structures of (1α,2α,4β)-1,2-diacetoxy-4-(4-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene (compound A) and (1α,2α,4β)-1,2-diacetoxy-4-(2-methoxyphenyl)-8-methoxy-1,2,3,4-tetrahydronaphthalene (compound B) (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 37-45 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract CompoundA is (1α,2α,4β)-1,2-diacetoxy-4-(4-methoxyphenyl)-6-methoxy-l,2,3,4-tetrahydronaphthalene, C22H24O6,M r=384.43, monoclinic, P21/n, witha=11.074(3),b=10.353(4),c=17.616(4)Å,β=94.96(2)°,V=2012.1Å3,D calc=1.27 g cm−3 andμ=0.55 cm−1 forZ=4. Least-squares refinement of 1371 observed [F 0≥5 σ (F 0)] reflections led to the final agreement index ofR=0.052. A twofold disorder was observed for the 1-acetoxy group whereas the 2-acetoxy group was ordered. CompoundB, (1α,2α,4β)-1,2-diacetoxy-4-(2-methoxyphenyl)-8-methoxy-l,2,3,4-tetrahydronaphthalene, C22H24O6,M r=384.43, crystallizes in the monoclinic space group, P21/c, witha=16.209(2),b=10.076(1),c=13.357(4)Å,β=111.41(2)°,V=2030.9Å3,D calc=1.26 g cm−3 andμ=0.54 cm−1 forZ=4. A final agreement index ofR=0.045 was realized by least-squares refinement of 1486 observed [F o≥5 σ (F o)] reflections. Intermolecular interactions in the cell lattices of compoundsA andB are noted. The title compoundsA andB were prepared by manganese(III) acetate oxidative dimerization of two molecules of 4-methoxystyrene and 2-methoxystyrene, respectively.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181673
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  • 88
    Digitale Medien
    Digitale Medien
    Crystal and Molecular structure ofcyclo-pentamethylene-tert-butylarsanehydroxybromide, C9H20AsBrO (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 85-87 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181679
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  • 89
    Digitale Medien
    Digitale Medien
    Crystal structure of bis-1,2-(methyldiphenylphosphonium)-ethane perchlorate, [Ph2MePCH2CH2PMePh 2 2+ ] [ClO 4 − ]2 (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 89-91 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01181680
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  • 90
    Digitale Medien
    Digitale Medien
    Synthesis and crystal and molecular structure of newN-substituted γ-hydroxybutyramides (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 139-144 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract TheN-(2-phenylethyl)amide ofα-(1′, 1′-ethylenedioxy)-ethyl-γ-hydroxybutyric acid (II) and theN-(p-methoxybenzyl)amide ofα-(1′, 1′-ethylenedioxy)-ethyl-γ-hydroxybutyric acid (III) have been synthesized and the crystal structure ofIII has been solved. CompoundIII, C16H23O5N, crystallizes in the monoclinic space groupP21/c witha=12.572(2),b=11.149(2),c=12.317(2) Å andβ=106.53(1)°. The structure was solved by direct methods, and refined by full-matrix least squares to giveR=0.040 (R w =0.047) for 2004 intensities. The dioxolane ring has a deformed half-chair conformation.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160965
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  • 91
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of aN(2)-benzyl-1,3-disubstituted-1,2,3,4-tetrahydro-β-carboline (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 109-115 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract (1R,3S)-2-Benzyl-3-methoxycarbonyl-1-methylcarboxymethyl-1,2,3,4-tetrahydro-9H-pyrido [3,4-b] indole, C23H24N2O4, was synthesized by a modified Pictet-Spengler reaction, and its crystal and molecular structure determined by single crystal X-ray diffraction methods. The crystals are monoclinic:P21 (No. 4),a=11.336(1),b=8.919(1),c=10.314(1)Å,β=100.81(1)°,Z=2. The structure has been solved by direct methods, and refined toR=0.041 for 2203 observed reflections. The six-membered heterocyclic ring is in a half-chair conformation, and the substituents at C(3) and C(5) occupy axial and equatorial positions respectively. The CH2Ph group attached to N(4) is in the generally less favoured axial position. The nitrogen atom of the indole system forms an intermolecular hydrogen bond with the carbonyl oxygen of the CH2CO2 Me group, the N⋯O distance being 2.995(3)Å.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160961
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  • 92
    Digitale Medien
    Digitale Medien
    Structure of 11α-hydroxy-progesterone, C21H30O3 (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 145-148 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The structure of the title compound, C21H30O3, was determined by X-rays.M r =330.5, orthorhombic,P212121,a=8.4451(9),b=10.7074(8),c=20.1525(40) Å,V=1822(8) Å3,Z=4,D x =1.205 mg m−3. CuKα radiation (1.54184 Å),μ(CuKα)=5.85 cm−1,F(000)=720. FinalR=0.054R w =0.049 for 1774 unique reflections. The structure was solved usingMultan. TheA ring adopts an intermediate sofa-half-chair conformation and is bent toward theα face of the steroid skeleton. RingsB andC have typical chair conformations, and theD ring has a slightly distorted half-chair conformation. The progesterone side chain has a typical conformation, and the C16-C17-C20-O20 torsion angle is −17.9°. An intermolecular hydrogen bond is formed between the hydroxyl group and the progesterone side chain.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160966
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  • 93
    Digitale Medien
    Digitale Medien
    Synthesis and X-ray structure of tetrakis[μ-(3,4-dimethoxy-α-β-dihydrocinnamato)] dimethanoldicopper(II) (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 161-164 
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    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The synthesis, magnetic, and structural properties of the title compound are reported. The crystals are triclinic, space groupP¯1, witha=15.084(2),b=11.820(1),c=7.5253(7) Å, α=71.50(1),β=77.61(1), γ=68.68(1)° andZ=1; the structure was solved by Patterson and Fourier methods and refined toR 0.0351 for 4147 observed reflections. The content of the unit cell consists of a centrosymmetrical copper acetate-like molecule in which each copper can be described as square-pyramidally surrounded by four carboxylic oxygens in the basal plane [1.955(2)–1.970(2) Å], one methanolic oxygen in the apical site [2.206(2) Å] and a Cu⋯Cu interaction of 2.612(5) Å at a sixth position of a distorted octahedron. The dimers are packed by means of hydrogen bonds formed between the methanolic OH group and the carboxylic O(2) atom of one adjacent complex and by normal Van der Waals contacts. The subnormal magnetic moment, characteristic of exchange interactions between the two copper(II) ions, and the energy of the d-d band observed are consistent with the reported dinuclear copper(II) acetate-like structure.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160969
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  • 94
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of 2,3,6,7-tetramethoxy-9-trichloromethyl-10-carboxymethyl-9,10-dihydroanthracene (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 173-178 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract Cl3O6C21H21,M r =475.75, orthorhombic,P212121,a=21.895(3),b=12.101(2), andc=8.237(2) Å,V=2182.4(7) Å3,D x =1.45 g cm−3 forZ=4, λ(MoKα)=0.71069 Åμ=3.99 cm−1,F(000) 984, room temperature,R=0.035 for 1877 observed reflections. The molecule exhibits a folded conformation: the dihedral angle between the benzene rings is 28.3(1)°. The central ring is characterized by acis diaxal configuration of hydrogen atoms in the 9, 10 positions, confirming the 13-C NMR results.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160971
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  • 95
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of 2-(4′-methylphenyl)aza-1,3-dioxo spiro (4,7) dodecane, C18H23NO2 (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 211-214 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01160978
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  • 96
    Digitale Medien
    Digitale Medien
    X-ray structure of thioquinanthrenediinium dichloride (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 375-380 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The title compound (C18H12N2S2)2+ 2Cl− is monoclinic:a=8.632(2),b=13.292(3),c=14.345(3) Å,Z=4,P212121. The structure was solved by direct methods, and refined by weighted full-matrix least squares. The refinement, based on 1918 reflections withI≥3.0σ(I), converged to a finalR of 0.036 (R w =0.042). The conformation of 1,4-dithiino ring is a boat. The linear hydrogen bond distance N-H⋯Cl is 2.980(3) Å.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01274146
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  • 97
    Digitale Medien
    Digitale Medien
    Structural studies on taurocyamine: 2-[(aminoiminomethyl)-amino]-ethanesulfonic acid (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 403-406 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of taurocyamine has been determined by single-crystal diffraction methods. The compound crystallizes in the monoclinic space groupCc witha=5.418(4),b=13.403(9),c=9.533(7) Å,β=91.26(4)° andZ=4. The structure was solved by direct methods, and refined by least-squares procedures toR=0.027 (R w =0.034). The molecule is characterized by statistical distribution of the SO3H group proton as well of the C=NH proton, suggesting the presence either of different isomers or, in some percentage, of zwitterions in the crystal. An extensive hydrogen-bond system dominates the structure in the crystal state.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180104
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  • 98
    Digitale Medien
    Digitale Medien
    Crystal and molecular structure of 3,5-cycloandrostan-6β-ol-17-one (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 415-418 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal and molecular structure of 3,5-cycloandrostan-6β-ol-17-one has been determined by X-ray analysis,13C-NMR,1H-NMR, IR and elemental analyses. The compound was obtained from dehydroepiandrosterone (DHEA) via the 3β-tosyl derivative by refluxing in a butan-2-one/water mixture. The X-ray analysis shows that the planar cyclopropane ring is predominantlyα orientated and the formation of the C(3)-C(5) bond enables the A ring to adopt a distorted boat conformation. Spectroscopic evidence for the presence of the cyclopropane ring and the 6β-hydroxy group are presented.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180106
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  • 99
    Digitale Medien
    Digitale Medien
    Structure of 18-cyanoprogesterone, C22H29O2N (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 429-432 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The crystal structure of 18-cyanoprogesterone was determined by X-ray diffraction methods:P212121 a=7.436(2),b=11.322(2),c=22.642(2) Å. The structure was solved usingShelx-86. Final conventionalR=0.054.R w =0.051 for 1841 reflections. TheA ring has an intermediate sofa-half-chair conformation with asymmetry parameters ΔC s /1 =11.0, ΔC 2 3,4 =14.9. The steroid skeleton exhibits a flattening of theA ring relative to the rest of the molecule. The progesterone side chain has a typical conformation, and the C16-C17-C20-O20 torsion angle is −19.0(6)°.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180109
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  • 100
    Digitale Medien
    Digitale Medien
    Structure and molecular chirality of the 2∶1 salt of quinine with biphenyl 2,2′-dicarboxylic acid (diphenic acid) (1990)
    Springer
    Journal of chemical crystallography 20 (1990), S. 447-455 
    Details
    ISSN: 1572-8854
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Geologie und Paläontologie , Physik
    Notizen: Abstract The molecule of the salt consists of two quinine cations and a biphenyl 2,2′-dicarboxylic dianion. Both of the quinine cations are protonated at the nitrogen atoms of the quinuclidine fragments. Each carboxylic group of the diphenic dianion acts as a proton donor with respect to the quinuclidine N(1) atom of one of the quinine cations, and as a proton acceptor with respect to the carbinol O(12′)-H(12′) group of the other. Thus, the interlocking hydrogen-bond system forms a rigid structure. The molecular conformation around the C(8)-C(9) bond is synclinal. The conformational parameters of the diphenic dianion are considerably different from those of diphenic acid in solid state. The absolute configuration of the biphenyl 2,2′-dicarboxylic dianion (S) is defined by the positive torsion angle around the line which connects the centers of both phenyl rings. The molecular chirality of the salt arises from the coupling between the quinoline and the biphenyl chromophores, as well as from the coupling of the quinoline-quinoline long-axis polarizedβ-band transition moments.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF01180112
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