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  • Articles  (21,458)
  • Springer  (21,458)
  • 1985-1989  (18,516)
  • 1950-1954  (2,942)
  • Geosciences  (20,354)
  • Architecture, Civil Engineering, Surveying  (3,233)
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  • Articles  (21,458)
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  • 1
    Electronic Resource
    Electronic Resource
    Predictors of the peak width for networks with exponential links (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 1-16 
    Details
    ISSN: 1436-3259
    Keywords: Width function ; instantaneous unit hydrograph ; peak ; regression ; birth-death process
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract We investigate optimal predictors of the peak (S) and distance to peak (T) of the width function of drainage networks under the assumption that the networks are topologically random with independent and exponentially distributed link lengths. Analytical results are derived using the fact that, under these assumptions, the width function is a homogeneous Markov birth-death process. In particular, exact expressions are derived for the asymptotic conditional expectations ofS andT given network magnitudeN and given mainstream lengthH. In addition, a simulation study is performed to examine various predictors ofS andT, includingN, H, and basin morphometric properties; non-asymptotic conditional expectations and variances are estimated. The best single predictor ofS isN, ofT isH, and of the scaled peak (S divided by the area under the width function) isH. Finally, expressions tested on a set of drainage basins from the state of Wyoming perform reasonably well in predictingS andT despite probable violations of the original assumptions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543424
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  • 2
    Electronic Resource
    Electronic Resource
    Technical comments (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 68-69 
    Details
    ISSN: 1436-3259
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543428
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  • 3
    Electronic Resource
    Electronic Resource
    Single station and regional analysis of daily rainfall extremes (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 281-292 
    Details
    ISSN: 1436-3259
    Keywords: Generalised Pareto distribution ; Peaks over threshold ; Probability weighted moments ; Regionalisation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract A peaks over threshold (POT) method of analysing daily rainfall values is developed using a Poisson process of occurrences and a generalised Pareto distribution (GPD) for the exceedances. The parameters of the GPD are estimated by the method of probability weighted moments (PWM) and a method of combining the individual estimates to define a regional curve is proposed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543461
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  • 4
    Electronic Resource
    Electronic Resource
    Basinwide flood control system by combining prediction and reservoir operation (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 31-49 
    Details
    ISSN: 1436-3259
    Keywords: Reservoir operation ; prediction ; Kalman filtering ; flood prevention ; fuzzy control
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract Japan has traditionally performed flood prevention through the construction and use of dikes, storage reservoirs, and basins which are costly and time consuming options. Another non-structural option is to operate the flood control system appropriately with a view to reducing flood damage. In this paper, a flood control system combining the runoff prediction model in the whole river basin with the reservoir operation is discussed. Different models of the runoff process are introduced in order to compare their accuracies and the computational time for the flood forecasting system. The reservoir operational rule is formulated in terms of fuzzy inference theory. Historical data are applied in a case study for verification of the proposed theories.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543426
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  • 5
    Electronic Resource
    Electronic Resource
    Reply (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 69-69 
    Details
    ISSN: 1436-3259
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543429
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  • 6
    Electronic Resource
    Electronic Resource
    Announcements (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 154-154 
    Details
    ISSN: 1436-3259
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01544078
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  • 7
    Electronic Resource
    Electronic Resource
    A survey of numerical methods for stochastic differential equations (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 155-178 
    Details
    ISSN: 1436-3259
    Keywords: Stochastic differential equations ; Stochastic Taylor formula ; Numerical methods ; Simulations ; Strong convergence ; Weak convergence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract The development of numerical methods for stochastic differential equations has intensified over the past decade. The earliest methods were usually heuristic adaptations of deterministic methods, but were found to have limited accuracy regardless of the order of the original scheme. A stochastic counterpart of the Taylor formula now provides a framework for the systematic investigation of numerical methods for stochastic differential equations. It suggests numerical schemes, which involve multiple stochastic integrals, of higher order of convergence. We shall survey the literature on these and on the earlier schemes in this paper. Our discussion will focus on diffusion processes, but we shall also indicate the extensions needed to handle processes with jump components. In particular, we shall classify the schemes according to strong or weak convergence criteria, depending on whether the approximation of the sample paths or of the probability distribution is of main interest.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543857
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  • 8
    Electronic Resource
    Electronic Resource
    Evaluation of rainfall-runoff performance using the stochastic integral equation method (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 217-226 
    Details
    ISSN: 1436-3259
    Keywords: Stochastic integral equation method ; rainfall-runoff models ; confidence interval
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract The stochastic integral equation method (S.I.E.M.) is used to evaluate the relative performance of a set of both calibrated and uncalibrated rainfall-runoff models with respect to prediction errors. The S.I.E.M. is also used to estimate confidence (prediction) interval values of a runoff criterion variable, given a prescribed rainfall-runoff model, and a similarity measure used to condition the storms that are utilized for model calibration purposes. Because of the increasing attention given to the issue of uncertainty in rainfall-runoff modeling estimates, the S.I.E.M. provides a promising tool for the hydrologist to consider in both research and design.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543861
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  • 9
    Electronic Resource
    Electronic Resource
    A practical method for outlier detection in autoregressive time series modelling (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 241-260 
    Details
    ISSN: 1436-3259
    Keywords: Hat matrix ; Mahalanobis distance ; Additive outliers ; Innovation outliers ; Influential data ; Autoregressive models ; Threshold autoregression ; Lake Huron
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract A practical method is developed for outlier detection in autoregressive modelling. It has the interpretation of a Mahalanobis distance function and requires minimal additional computation once a model is fitted. It can be of use to detect both innovation outliers and additive outliers. Both simulated data and real data re used for illustration, including one data set from water resources.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543459
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  • 10
    Electronic Resource
    Electronic Resource
    A stability analysis of the geostatistical approach to aquifer transmissivity identification (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 293-316 
    Details
    ISSN: 1436-3259
    Keywords: Confined aquifer ; Transmissivity identification ; Geostatistics ; Inverse problem ; Ill-posedness ; Ill-conditioning ; Stability analysis ; Regularization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract In recent years, geostatistical concepts have been applied to the inverse problem of transmissivity estimation from piezometric head data. It has been claimed that such methods overcome various difficulties encountered in other approaches. However, the reconstruction of transmissivity from head measurements is ill-posed as it depends on derivatives of the head field. Consequently, any accurate method for its solution is likely to encounter numerically ill-conditioned systems. This paper reviews the geostatistical approach, and uses the stability analyses of linear algebra to show that, as the amount of available data increases and the discretization of the system is refined, both a numerically ill-conditioned parameter estimation problem and ill-conditioned cokriging equations may appear. Therefore, while the geostatistical approach does have conceptual appeal, it does not avoid the fundamental difficulties arising out of the ill-posed nature of transmissivity identification. Instead, the method is likely to be quite sensitive to these difficulties, so care must be taken in its formulation to minimize their effects. A means to stabilize the geostatistical method is suggested and numerical experiments that highlight key points of our analysis are given.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543462
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  • 11
    Electronic Resource
    Electronic Resource
    Fitting a stochastic partial differential equation to aquifer data (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 85-96 
    Details
    ISSN: 1436-3259
    Keywords: Stochastic equations ; irregularly spaced observations ; prediction, interpolation ; random fields
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract The steady state two dimensional groundwater flow equation with constant transmissivities was studied by Whittle in 1954 as a stochastic Laplace equation. He showed that the correlation function consisted of a modified Bessel function of the second kind, order 1, multiplied by its argument. This paper uses this pioneering work of Whittle to fit an aquifer head field to unequally spaced observations by maximum likelihood. Observational error is also included in the model. Both the isotropic and anisotropic cases are considered. The fitted field is then calculated on a two dimensional grid together with its standard deviation. The method is closely related to the use of two-dimensional splines for fitting surfaces to irregularly spaced observations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01544074
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  • 12
    Electronic Resource
    Electronic Resource
    Stochastic analysis of estuarine hydraulics (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 71-84 
    Details
    ISSN: 1436-3259
    Keywords: Hydraulics ; quasilinearization ; simulation ; stochastic ; estuarine system ; Monte Carlo methods ; random differential equations ; parameter uncertainty
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract A new methodology is presented for the solution of the stochastic hydraulic equations characterizing steady, one-dimensional estuarine flow. The methodology is predicated on quasi-linearization, perturbation methods, and the finite difference approximation of the stochastic differential operators. Assuming Manning's roughness coefficient is the principal source of uncertainty in the model, stochastic equations are presented for the water depths and flow rates in the estuarine system. Moment equations are developed for the mean and variance of the water depths. The moment equations are compared with the results of Monte Carlo simulation experiments. The results confirm that for any spatial location in the estuary that (1) as the uncertainty in the channel roughness increases, the uncertainty in mean depth increases, and (2) the predicted mean depth will decrease with increasing uncertainty in Manning'sn. The quasi-analytical approach requires significantly less computer time than Monte Carlo simulations and provides explicit
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01544073
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  • 13
    Electronic Resource
    Electronic Resource
    Stochastic partial differential equations in groundwater hydrology (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 135-153 
    Details
    ISSN: 1436-3259
    Keywords: Stochastic partial differential equations ; maximum likelihood estimation ; parameter estimation ; moment equations ; stodhastic contaminant transport
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract Many problems in hydraulics and hydrology are described by linear, time dependent partial differential equations, linearity being, of course, an assumption based on necessity. Solutions to such equations have been obtained in the past based purely on deterministic consideration. The derivation of such a solution requires that the initial conditions, the boundary conditions, and the parameters contained within the equations be stipulated in exact terms. It is obvious that the solution so derived is a function of these specified, values. There are at least four ways in which randomness enters the problem. i) the random initial value problem; ii) the random boundary value problem; iii) the random forcing problem when the non-homogeneous part becomes random and iv) the random parameter problem. Such randomness is inherent in the environment surrounding the system, the environment being endowed with a large number of degrees of freedom. This paper considers the problem of groundwater flow in a phreatic aquifer fed by rainfall. The goveming equations are linear second order partial differential equations. Explicit form solutions to this randomly forced equation have been derived in well defined regular boundaries. The paper also provides a derivation of low order moment equations. It contains a discussion on the parameter estimation problem for stochastic partial differential equations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01544077
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  • 14
    Electronic Resource
    Electronic Resource
    Some results comparing Monte Carlo simulation and first order Taylor series approximation for steady groundwater flow (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 179-190 
    Details
    ISSN: 1436-3259
    Keywords: Groundwater ; Stochastic ; Monte Carlo simulation ; First order Taylor series approximation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract The expected head and standard deviation of the head from the first order Taylor series approximation is compared to Monte Carlo simulation, for steady flow in a confined aquifer with transmissivity as a random variable. Emphasis is on the effect of changes in the covariance structure of the transmissivity, and pumping rates, on the errors in the first order Taylor series approximation. The accuracy of the first order Taylor series approximation is found to be particularly sensitive to pumping rates. With significant pumping the approximation is found to under estimate both the expected drawdown and head variance, and the error increases as the pumping rate increases. This can lead to large errors in probability constraints based on moments from the first order Taylor series approximation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543858
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  • 15
    Electronic Resource
    Electronic Resource
    Kalman filter estimation for periodic autoregressive-moving average models (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 227-240 
    Details
    ISSN: 1436-3259
    Keywords: Kalman filter ; Maximum likelihood estimation ; Periodic models ; Stochastic hydrology ; Time series analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract An exact maximum likelihood procedure is presented for estimating the parameters of a periodic autogressive-moving average (PARMA) model. To develop an estimator which is both statistically and computationally efficient, the PARMA class of models is written using a state-space representation and a Kalman filtering algorithm is used to estimate the parameters. In order to demonstrate how to fit PARMA models in practice, the most appropriate types of PARMA models are identified for fitting to two average monthly riverflow time series and the new estimator is employed for estimating the model parameters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543862
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  • 16
    Electronic Resource
    Electronic Resource
    An application of Karmarkar's interior-point linear programming algorithm for multi-reservoir operations optimization (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 17-29 
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    ISSN: 1436-3259
    Keywords: Stochastic optimization ; linear programming ; simplex method ; Karmarkar's method
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract Optimization of multi-reservoir systems operations is typically a very large scale optimization problem. The following are the three types of optimization problems solved using linear programming (LP): (i) deterministic optimization for multiple periods involving fine stage intervals, for example, from an hour to a week (ii) implicit stochastic optimization using multiple years of inflow data, and (iii) explicit stochastic optimization using probability distributions of inflow data. Until recently, the revised simplex method has been the most efficient solution method available for solving large scale LP problems. In this paper, we show that an implementation of the Karmarkar's interior-point LP algorithm with a newly developed stopping criterion solves optimization problems of large multi-reservoir operations more efficiently than the simplex method. For example, using a Micro VAX II minicomputer, a 40 year, monthly stage, two-reservoir system optimization problem is solved 7.8 times faster than the advanced simplex code in MINOS 5.0. The advantage of this method is expected to be greater as the size of the problem grows from two reservoirs to multiples of reservoirs. This paper presents the details of the implementation and testing and in addition, some other features of the Karmarkar's algorithm which makes it a valuable optimization tool are illuminated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543425
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  • 17
    Electronic Resource
    Electronic Resource
    Spatial rainfall estimation by linear and non-linear co-kriging of radar-rainfall and raingage data (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 51-67 
    Details
    ISSN: 1436-3259
    Keywords: Spatial rainfall estimation ; kriging ; ordinary co-kriging ; disjunctive co-kriging
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract The feasibility of linear and nonlinear geostatistical estimation techniques for optimal merging of rainfall data from raingage and radar observations is investigated in this study by use of controlled numerical experiments. Synthetic radar and raingage data are generated with their hypothetical error structures that explicitly account for sampling characteristics of the two sensors. Numerically simulated rainfall fields considered to be ground-truth fields on 4×4 km grids are used in the generation of radar and raingage observations. Ground-truth rainfall fields consist of generated rainfall fields with various climatic characteristics that preserve the space-time covariance function of rainfall events in extratropical cyclonic storms. Optimal mean areal precipitation estimates are obtained based on the minimum variance, unbiased property of kriging techniques under the second order homogeneity assumption of rainfall fields. The evaluation of estimated rainfall fields is done based on the refinement of spatial predictability over what would be provided from each sensor individually. Attention is mainly given to removal of measurement error and bias that are synthetically introduced to radar measurements. The influence of raingage network density on estimated rainfall fields is also examined.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543427
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  • 18
    Electronic Resource
    Electronic Resource
    Parameter estimation in low order fractionally differenced ARMA processes (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 97-110 
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    ISSN: 1436-3259
    Keywords: ARMA processes ; fractionally differencedARMA processes ; long memory ; spectral density ; maximum likelihood estimates
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract A class of regression type estimators of the parameterd in a fractionally differencedARMA (p, q) process is introduced. This class is an extension of the estimator considered by Geweke and Porter-Hudak. In a simulation study, we compared three estimators from this class together with two approximate maximum likelihood estimators which are based on two separate approximations to the likelihood. One approximation ignores the determinant term in the likelihood and the other includes a compensating factor for the determinant. When the determinant term is included, the estimate tends to be much less biased and is in general superior to the other estimate. The approximate maximum likelihood estimator out performed, by a large margin, the regression type estimators for pureARIMA (0,d,0) processes. However, forARIMA (1,d,1) processes, a regression type estimator turned out to be the best for realizations of length 400 in 3 out of the 5 cases we tried.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01544075
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  • 19
    Electronic Resource
    Electronic Resource
    Basin-scale relations via conditioning (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 111-133 
    Details
    ISSN: 1436-3259
    Keywords: Rainfall-runoff models ; random channel network ; regionalization ; flood frequency ; instanteous unit hydrograph
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract A rainfall-runoff model is used in conjunction with a probabilistic description of the input to this model to obtain simple regression-like relations for basin runoff in terms of basin and storm characteristics. These relations, similar to those sought in regionalization studies, are computed by evaluating the conditional distribution of model output given basin and storm characteristics. This method of conditioning provides a general way of examining model sensitivity to various components of model input. The resulting relations may be expected to resemble corresponding relations obtained by regionalization using actual runoff to the extent that the rainfall-runoff model and the model input specification are physically realistic. The probabilistic description of model input is an extension of so-called “random-model” of channel networks and involves postulating an ensemble of basins and associated probability distributions that mimic the variability of basin characteristics seen in nature. Application is made to small basins in the State of Wyoming. Parameters of the input variable distribution are estimated using data from Wyoming, and basin-scale relations are estimated both, parametrically and nonparametrically using model-generated runoff from simulated basins. Resulting basin-scale relations involving annual flood quantiles are in reasonable agreement with those presented in a previous regionalization study, but error estimates are smaller than those in the previous study, an artifact of the simplicity of the rainfall-runoff model used in this paper. We also obtain relations for peak of the instantaneous unit hydrograph which agree fairly well with theoretical relations given in the literature. Finally, we explore the issues of sensitivity of basin-scale, relations and error estimates to parameterization of the model input probability distribution and of how this sensitivity is related to making inferences about a particular ungaged basin.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01544076
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  • 20
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    A cross entropy method for flood frequency analysis (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 191-202 
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    ISSN: 1436-3259
    Keywords: Random variable ; Distribution ; Estimation ; Probability analysis ; Cross-entropy ; Fractile constraints ; Flood
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract The cross-entropy method with fractile constraints has been developed to estimate a random variable when the data are a set of independent observations of the variable. The method can claim several advantages over existing methods. It uses a reference distribution like the prior distribution in Bayesian analysis and likewise generates a posterior distribution. The method is of interest, in particular, because it satisfies two fundamental requirements for selfconsistency in the analysis of a probabilistic system based on data: a principle of invariance and a principle of data monotonicity. The method is applied to flood analysis. Robustness of the minimum cross-entropy method is compared with other methods: the methods of moments and the maximum likehood.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543859
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  • 21
    Electronic Resource
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    Estimation of flow enhancement in the Kinneret watershed due to cloud seeding (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 203-216 
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    ISSN: 1436-3259
    Keywords: Cloud seeding ; Rainfall enhancement ; Regression
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract A comparison is carried out between historical records of the flow measured in Kinneret watershed during and prior to the time of cloud seeding for rainfall enhancement. Precipitation series for the control area of the meteorological experimentation serve as a reference for the comparison. The fluctuations of the flow, which would have occurred unless the effect of the seeding, are estimated by a linear regression on the precipitation as the control. The regression parameters are calibrated separately for the unseeded and for the seeded time series. The model with the parameters calibrated for the unseeded series is applied on the rainfall recorded during the seeded time, and vice versa. The difference between the measured and the computed data is attributed to the effect of cloud seeding. Similar comparisons are carried out with respect to rainfall series recorded at the target area and at the edge of the enhanced area. The results indicate that the flow from the affected sector of the watershed has been enhanced, with respect to the control, by 31×106 m 3/year, at a significance level of 31. This enhancement is 5% of the volume which is generated in that area. The rates found with respect to the rainfall at the edge are higher than those found with respect to the control, while those with respect to the rainfall at the center of the target area are lower.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01543860
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  • 22
    Electronic Resource
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    A radar-based stochastic model for the time-space arrivals of the rain fields onto a geographical region (1989)
    Springer
    Stochastic environmental research and risk assessment 3 (1989), S. 261-280 
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    ISSN: 1436-3259
    Keywords: Rain fields ; time-space arrivals ; stochastic model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Energy, Environment Protection, Nuclear Power Engineering , Geography , Geosciences
    Notes: Abstract Rainfall in time at any ground location can be described by the rain intensity distribution over the subtrajectories which are drawn by the ground location point on the radar-detected incremental rain fields (IRFs) that pass over this location. Based on this conceptualization, this study develops a stochastic description of the arrivals of IRF subtrajectories (SIRFs) onto any given set of ground locations over a geographical region. The arrivals of SIRFs is described by a multivariate doubly stochastic Poisson process, excited by the time-space arrival process of IRFs onto the designated geographical region. The arrival process of IRFs is described by a 3-level time-space nonhomogeneous Poisson cluster model. At the primary level of this model are the arrivals of synoptic cyclonic systems; at the secondary level are the arrivals of large mesoscale rain areas (LMSAs) and at the tertiary level are the arrivals of IRFs onto the designated geographical region, all detected by the weather radar. The models are substantiated both by the graphical analysis of rain fields, as detected on a radar scope, and by the statistical analysis of the arrivals data at all of the four levels at three different ground locations over a rectangular geographical region in Northern Kentucky. It is pointed out that a doubly stochastic Poisson process is basically a Poisson cluster process. Hence, the final process of SIRF arrivals onto any ground location may be interpreted as a 4-level Poisson cluster process. Finally, heavy tails in the sample covariance density functions of the IRF and SIRF arrivals are detected. This study shows that the appropriate incorporation of clustering at all observable distinct scales of the rain fields models the heavy tail behavior of the covariance density adequately.
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    The national estimates approach to U.S. fire statistics (1989)
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    Fire technology 25 (1989), S. 99-113 
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    ISSN: 1572-8099
    Keywords: National Fire Incident Reporting System ; national estimates method ; fire statistics ; scaling ratios
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract The development of the National Fire Incident Reporting System in the late 1970s made detailed, representative national fire statistics possible for the first time. However, calculation rules used to produce these statistics have varied among users. The authors present a detailed consensus procedure for such calculations and the supporting rationale.
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    URL: http://dx.doi.org/10.1007/BF01041420
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    Measuring and interpreting flame height in wildland fires (1989)
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    Fire technology 25 (1989), S. 114-133 
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    ISSN: 1572-8099
    Keywords: Wildland fires ; measuring fire intensity ; flame pulsation ; new techniques for flame height measurement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Although advanced technologies are available for measuring and sampling fire intensity, their costs, limitations, or complexity often preclude general use in field experiments. The lack of quality measurements exacerbates the task of relating ecological responses directly to the fires that cause them. In this paper, a new technique for measuring flame height, describing its distribution, and relating it to fire intensity is presented. Flame pulsation in natural fuels is also examined.
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    IAFSS symposium (1989)
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    Fire technology 25 (1989), S. 177-183 
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    ISSN: 1572-8099
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01041425
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    Preventing fire in historic buildings: The acceptable risk (1989)
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    Fire technology 25 (1989), S. 165-176 
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    ISSN: 1572-8099
    Keywords: historic buildings ; acceptable risk ; fire precautions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract The nature of historic buildings is considered from a firesafety viewpoint and some of the concepts of acceptable risk are described. The main approaches to the provision of adequate firesafety are discussed and the use of conventional fire precautions is reviewed briefly in the context of historic buildings.
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    Phlogiston (1989)
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    Fire technology 25 (1989), S. 1-2 
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    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01039718
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    Appreciation to referees (1989)
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    Fire technology 25 (1989), S. 3-4 
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    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01039719
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    Geographic information systems: Providing information for wildland fire planning (1989)
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    Fire technology 25 (1989), S. 5-23 
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    ISSN: 1572-8099
    Keywords: GIS ; fire management planning ; wildfire ; interactive video
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Controlling wildfires within the wildland/urban interface has proven to be the most complex challenge facing wildland fire agencies. Although program improvements to increase the efficiency of interface suppression efforts have been suggested, the availability of information about the wildfire environment remains a critical resource for wildland fire planning. Geographic Information Systems (GISs) can provide the technology to store, manipulate, analyze, and display spatially oriented information in a form necessary for efficient fire planning and incident decision making. Complex map and attribute information, including vegetation types, fuels models, weather patterns, topography, fire suppression environment, landuse characteristics, and microenvironmental features, can be rapidly summarized and integrated. This integrated information can be used to create unique polygons useful in predicting fire behavior, allocating fire suppression resources, and as an aid in planning land use. Simplified user interfaces and the portability of new hardware systems will allow GISs to be used at every level of wildland fire planning.
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    Evaluation of Halon 1301 test gas simulants: Enclosure leakage (1989)
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    Fire technology 25 (1989), S. 24-40 
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    ISSN: 1572-8099
    Keywords: Discharge tests ; halons ; ozone ; halon simulants ; sulfur hexafluoride ; chlorodifluoromethane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Full discharge tests used in verification and quality assurance of total flooding Halon 1301 fire protection systems represent a large portion of the Halon 1301 emissions annually. It is, therefore, desirable to use a suitable simulant in these tests in view of the stratospheric ozone problem and current and future regulation of Halon 1301. Sulfur hexafluoride, SF6, and chlorodifluoromethane, R-22, were identified as candidate simulants on the basis of their similarity in physical properties to Halon 1301. These two candidates were then evaluated on the basis of leakage from an enclosure. SF6 was determined to be an excellent simulant for Halon 1301 when considering leakage from an enclosure. Further testing of SF6 and R-22 is progressing on other important aspects of Halon 1301 systems; i.e., flow hydraulics and initial mixing.
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    Measurements of gas velocities and temperatures in a large open pool fire (1989)
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    Fire technology 25 (1989), S. 51-80 
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    ISSN: 1572-8099
    Keywords: Pool fire ; velocity ; heat flux ; measurements
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract A number of measurements were made to help define the thermal and flow conditions in a 9 × 18 meter pool fire that was used to simulate a transportation accident. Temperatures were measured at twenty-eight locations throughout the continuous flame region. Velocities were measured at four vertical stations near the centerline of the pool. Heat fluxes were estimated from thermal measurements on and near vertical steel plates. As is often the case in fires of this size, the effects of mild, ambient winds on the measurements were pronounced. Attempts have been made to mitigate these effects by the application of conditional sampling. Temperatures and velocities are compared with other experimental results as well as results of modeling efforts.
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    More on Occupancy Classification (1989)
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    Fire technology 25 (1989), S. 279-280 
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    URL: http://dx.doi.org/10.1007/BF01039785
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    IFPEI-V (1989)
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    Fire technology 25 (1989), S. 276-278 
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    URL: http://dx.doi.org/10.1007/BF01039784
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    The International Network for Fire Information and Resource Exchange (inFIRE) (1989)
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    Fire technology 25 (1989), S. 274-276 
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    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01039783
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    An update on fire protection halons and the environment (1989)
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    Fire technology 25 (1989), S. 81-83 
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    URL: http://dx.doi.org/10.1007/BF01039724
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    A canonical correlation of fire protective behaviors and beliefs (1989)
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    Fire technology 25 (1989), S. 41-50 
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    ISSN: 1572-8099
    Keywords: health beliefs ; protection motivation theory ; response efficacy ; personal efficacy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract The use of a multivariate procedure is demonstrated in the analysis of a survey of various firesafety actions and beliefs in a college student population. A canonical correlation analysis identified three significant factors and revealed that performing a safety inspection of one's residence for potential hazards was associated with beliefs in one's personal efficacy in handling fire situations, whereas engaging in more emergency-related actions such as checking to see if one's smoke detector was working properly, knowing the emergency telephone number, having it posted by the telephone, and knowing two exits out of each area of the home was related to beliefs of susceptibility and seriousness concerning fires. A third factor revealed an association between having a sprinkler system (but not a fire extinguisher) present in the place of residence, vacuuming the dust from a smoke detector, and having ever practiced an emergency escape with beliefs reflecting susceptibility to future (but not present) fire hazards, adequacy of firesafety knowledge, and beliefs in the effectiveness of firesafety inspections. It is shown that the results of this analysis can be quite useful in guiding the development of firesafety education materials; also, the need to differentiate the specific motivational approach depending upon the type of firesafety action being promoted with this particular population is revealed.
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    1987–1988 research report, Fire Research Section (1989)
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    Fire technology 25 (1989), S. 89-91 
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    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01039728
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    Predicting protected steel member fire endurance using spread-sheet programs (1989)
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    Fire technology 25 (1989), S. 256-273 
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    ISSN: 1572-8099
    Keywords: fire endurance ; protected steel members ; protected steel columns ; heat transfer ; thermal insulation ; thermal properties ; fire tests
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract The simple method of computing the time-temperature response of protected steel members that has been recommended by the European Convention for Constructional Steelwork (ECCS) is presented in this paper. The method is a one-dimensional heat flow approach that explicitly accounts for the thickness and thermal properties of the insulation as well as the area and perimeter of the steel section. Two different cases are recognized. In the simpler, the heat required to increase the temperature of the insulation is small and can be ignored. This will be the case for sprayed mineral fiber fire protection. In other cases, a large amount of heat is absorbed by the insulation and it must explicitly be taken into account. This will be true for gypsum plaster, concrete, or masonry fire protection. A time-step approach is used, in which thermal equilibrium is considered during each of several short time intervals. This leads to repetitive calculations in a format ideally suited to use in a spreadsheet program in a microcomputer. The time-temperature course of the fire is explicitly taken into account, and the fire may follow the ASTM E-119 curve or any other curve. Three examples are presented, and comparisons of measured and computed fire endurances are made, with reasonably good agreement found.
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    On the evaporation effect of a sprinkler water spray (1989)
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    Fire technology 25 (1989), S. 364-373 
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    ISSN: 1572-8099
    Keywords: sprinklers ; heat loss ; evaporation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract A crude model for estimating the evaporation heat loss due to a sprinkler water spray in a smoke layer is reported. It is found that the evaporation heat loss lies below 11.2% of the convective loss when water travels through a hot gas layer 0.9 m thick and 160°C under normal sprinkler operating conditions. It is also found that the value may go up to 26% if the smoke layer reaches 1.5 m and 273°C.
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    International halon research project update (1989)
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    Fire technology 25 (1989), S. 83-84 
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    National Institute of Building Sciences Combustion/Toxicity Working Group (1989)
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    Fire technology 25 (1989), S. 84-86 
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    Source: Springer Online Journal Archives 1860-2000
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    URL: http://dx.doi.org/10.1007/BF01039726
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    BRE report on Fire Research (1989)
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    Fire technology 25 (1989), S. 87-89 
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    Occupancy classification (1989)
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    Fire technology 25 (1989), S. 97-98 
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    News and meetings (1989)
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    Fire technology 25 (1989), S. 92-95 
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    Flame extinguishment properties of dry chemicals: Extinction concentrations for small diffusion pan fires (1989)
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    Fire technology 25 (1989), S. 134-149 
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    Keywords: Flame ; extinguishment ; extinction ; diffusion flames ; dry chemicals ; hydrocarbon-air
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract An extensive experimental study has been made of the extinguishment of a smalln-heptane diffusion flame (14.7 cm diameter pan) by five common dry-chemical powders—potassium bicarbonate, sodium bicarbonate, potassium chloride, monoammonium phosphate, and Monnex. The fire extinguishing effectiveness (reciprocal of the observed minimum extinction concentration) of each dry-chemical substance, other than that due to chemical specificity, is fully explained on the basis of particle size and distribution. Literature correlations between effectiveness and particle surface area appear to be incidental and stem from the inherent relationship between particle size and surface area. An important finding of the study is a discontinuity in the extinguishing effectiveness of a powder as a function of particle size. This occurs for each substance at a unique particle diameter above which there is a dramatic five-to eight-fold decrease in effectiveness. For a given substance, all powders with particle sizes below the limiting value exhibit the same maximum effectiveness.
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    Knowledge management: An application to wildfire prevention planning (1989)
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    Fire technology 25 (1989), S. 150-164 
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    ISSN: 1572-8099
    Keywords: knowledge-based systems ; expert systems ; knowledge elicitation ; intelligent tutoring systems ; Delphi
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Residential encroachment into wildland areas places an additional burden on fire management activities. Prevention programs, fuel management efforts, and suppression strategies, previously employed in wildland areas, require modification for protection of increased values at risk in this interface area. Knowledge-based computer systems are being investigated as knowledge management tools for the organization, synthesis, and application of information pertinent to fire science utilization. Many such systems contain expertise which has been captured from human experts and symbolically encoded for automatic manipulation by computer. Two systems, fire characteristics prediction and initial-attack force dispatch, have been developed elsewhere using this approach. This paper describes a third project, which is currently being developed for wildfire prevention planning. Initial efforts in elicitation of knowledge from experts have produced several benefits prior to system implementation. Results to date in fire management are encouraging, and provide support for the future potential of these methods for the management of knowledge gained from fire research.
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    Book reviews (1989)
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    Fire technology 25 (1989), S. 184-187 
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    U.S. Center for Fire Research highlights (1989)
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    Fire technology 25 (1989), S. 188-190 
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    The other kind of knowledge (1989)
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    Fire technology 25 (1989), S. 193-194 
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    URL: http://dx.doi.org/10.1007/BF01039777
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    News and meetings (1989)
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    Fire technology 25 (1989), S. 191-192 
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    Soluble silicate-based coatings for fire protection (1989)
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    Fire technology 25 (1989), S. 230-240 
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    Keywords: Intumescence ; fire protective coating ; soluble silicates
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract A fire protective coating based on a soluble silicate was investigated in terms of intumescence, water sensitivity, and water absorption versus relative humidity. An acidic curing agent was used to improve the coating performance. The mechanism of intumescence of the silicate-based material was studied using DSC and TGA techniques.
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    Combustion properties of large liquid pool fires (1989)
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    Fire technology 25 (1989), S. 241-255 
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    Keywords: pool fire ; burning rate ; radiative outputs ; radiative fraction ; flame height ; flame temperature
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Data from a number of large liquid pool fire experiments, recorded at the Fire Research Institute of Japan over more than a dozen years, were gathered and compiled. Burning rate and radiative outputs of gasoline, kerosene, and heptane were of primary interest. It is difficult to deduce the behavior of large fires from data on small fires because of the likelihood of decreasing combustion efficiency and heavy soot generation with resulting blockage of radiation. The data compiled here is possibly the largest body of data available for study on large pool fires.
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    A study of cooling water requirements for the protection of metal surfaces against thermal radiation (1989)
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    Fire technology 25 (1989), S. 213-229 
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    Keywords: cooling ; water ; fire protection ; thermal radiation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Among the hazards posed to storage tanks by thermal radiation are the effects of changes in the mechanical strength of the metal at high temperatures that may lead ultimately to failure. Alarge-scale experimental study has been made of the water cooling requirements for metal surfaces exposed to thermal radiation. A two meter square radiation furnace and commercial water spray equipment were used in the study, which included trials on both vertical and inclined target surfaces. Water application rates between 1.4 and 10.4 L/min per square meter and incident heat fluxes up to 70 kW per square meter were employed. The experimental work was supported by a theoretical model of the cooling process. The results indicate that a metal plate, exposed to a nearby radiating source, can be kept below the temperature at which its mechanical properties become impaired as long as a water film, of minimal thickness, can be maintained over it.
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    Evidence for flame extinguishment by thermal mechanisms (1989)
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    Fire technology 25 (1989), S. 195-212 
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    Keywords: physical ; thermal ; mechanisms ; flame ; fire ; extinguishment ; hydrocarbonair
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract This paper presents an analysis of experimental flame and detonation extinguishment data published by a number of authors, including those in a companion paper. The maximum effectiveness observed for each of five common dry chemicals at small particle diameters is shown to be related to heat extraction from the flame by active endothermic sinks—heat capacity, fusion, vaporization, and decomposition. Larger particles are more stable in the flame and the reduced level of effectiveness observed is due principally to the only active sink—heat capacity. Evidence is presented to support two propositions: first, that the strong chemical inhibiting effects exhibited by many substances in flame velocity studies are effectively confined to low-concentration regimes; and second, that regardless of chemical effects, diffusion flames of the type studied are largely extinguished by thermal or heat extraction mechanisms at extinguishant concentrations that are quantitatively predicted by a simple heat balance and a predictable limit temperature.
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    Current Research Activities (1989)
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    Fire technology 25 (1989), S. 281-285 
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    News and meetings (1989)
    Springer
    Fire technology 25 (1989), S. 286-288 
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    ISSN: 1572-8099
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01039787
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    Barriers to fire science (1989)
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    Fire technology 25 (1989), S. 289-290 
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    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01040377
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    An adaptable microcomputer model for evacuation management (1989)
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    Fire technology 25 (1989), S. 291-307 
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    Keywords: evacuation management ; model-based support systems ; simulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract A simulation method is presented which enables a modeler to identify dangerous bottlenecks for emergency building evacuation and to test the sensitivity of occupant exit behavior to evacuation improvement strategies. The modeling method is tested against landmark evacuation data of Pauls and Jones, and used to predict problems and solutions for a complex evacuation situation involving a large university building with multiple exit choices. Some concluding remarks are addressed to a future research agenda for this method.
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    Comparison of several computer hydraulics programs for the IBM PC and compatibles (1989)
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    Fire technology 25 (1989), S. 336-363 
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    ISSN: 1572-8099
    Keywords: Hydraulic programs ; computers ; system analysis ; system design
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
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    URL: http://dx.doi.org/10.1007/BF01040381
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    Computation of one-dimensional spread of a leaking flammable gas (1989)
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    Fire technology 25 (1989), S. 308-316 
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    ISSN: 1572-8099
    Keywords: diffusion of gas ; explosion investigation ; explosion limits ; flammable gas
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract The equations governing the upward, one-dimensional diffusion of a flammable gas that is heavier than air have been solved numerically as an aid to safety personnel and accident investigators. A method is provided to determine the time required to reach the lower explosion limit at any elevation above the floor level. Results are presented graphically and a sample calculation is provided.
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    Collapsed spring observations in arson investigations: A critical metallurgical evaluation (1989)
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    Fire technology 25 (1989), S. 317-335 
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    ISSN: 1572-8099
    Keywords: arson ; coiled springs ; fire ; fire origin ; smoldering fire ; accelerant ; furniture springs ; collapsed springs ; fire investigation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying
    Notes: Abstract Observation of “collapsed” coiled (steel) furniture springs has been utilized for several decades or more by arson investigators as an indicator of whether an accelerant or smoldering source (such as a cigarette) caused a fire. This paper cites the contradictory literature, synopsizes metallurgical phenomena operative when coiled steel springs are subjected to fires, and presents empirical data from U.S. Federal Bureau of Investigation (FBI) Laboratory testing. It is concluded that observation of the “collapsed” state of coiled furniture/bedding springs is not a reliable indicator of whether a fire was initiated by a smoldering cigarette or accelerated by the presence of a hydrocarbon.
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    News and meetings (1989)
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    Fire technology 25 (1989), S. 377-378 
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    URL: http://dx.doi.org/10.1007/BF01040384
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    Software reviews (1989)
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    Fire technology 25 (1989), S. 374-376 
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    Anticancer agent development: X-ray crystal structure and keto-enol tautomerism of dimethyl 1-hydroxy-6,7-methylenedioxy-4-(3′,4′,5′-trimethoxyphenyl-trans-3,4-dihydronaphthalene-2,3-dicarboxylate (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 135-145 
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    ISSN: 1572-8854
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    Topics: Geosciences , Physics
    Notes: Abstract Structural and conformational information obtained from the crystal structure and solution1H nmr investigations of the title compound are compared. The 4-aryltetralone, C24H24O10, crystallizes as a chloroform solvate in the monoclinic space group, P21/n, witha=12.519(4),b=17.938(6),c=12.534(9)Å,β=111.90(5)°, and Dcalc=1.51 g cm−3 forZ=4. The data for this compound were collected at −150°C. Least-squares refinement of 2796 observed [F o≥5σ(F o)] reflections led to the final agreement index ofR=0.062. A threefold static disorder was observed for one of the carboxyl groups. The second carboxyl group participates in an intramolecular hydrogen bond and is thus ordered. The1H nmr spectrum revealed the title compound to exist as a keto-enol tautomeric mixture in solution. Vicinal hydrogen coupling constant analysis proved reliable in ascertaining B-ring stereochemistry of 2,3-disubstituted-4-aryltetralones.
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    A far infrared investigation of anionic species present in solution during the crystallization of a polynuclear bromocuprate(I) cluster containing three-coordinated copper (I) (1989)
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    Journal of chemical crystallography 19 (1989), S. 147-157 
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    Notes: Abstract Ethanolic solutions of tetrapropylammonium bromide and copper(I) bromide, from which bis(tetrapropylammonium) hexa-μ-bromo-tetrahedro-tetracuprate(I), [N(C3H7)4]2[Cu4Br6], a bromocuprate(I) cluster comprised of three-coordinated copper(I), crystallizes have been shown, by means of far i.r. spectroscopy, to contain the centrosymmetric, monomeric [CuBr2]− anion as the major, and probably the sole, bromocuprate(I) species,υ 3=323 cm−1. Crystalline [N(C3H7)4]2[Cu4Br6], [N(CH3)4]3[Cu2Br5] and [P(CH3)4]2[CuBr3], all of which contain anions in which copper(I) is three-coordinated, dissolve in nitro-methane to give solutions of the dibromocuprate(I) monomer. Variation of the coordination number of copper(I) in bromocuprates(I) crystallizing with symmetrically substituted quaternary ammonium and related unipositive cations is discussed in terms of dilution of the bromide ions by the cations, and a tentative mechanism for the formation of such compounds is proposed. Toward the end of the precipitation of [N(C3H7)4]2[Cu4Br6] from the ethanolic solution of tetrapropylammonium bromide and copper(I) bromide, a few crystals of a second bromocuprate(I) phase were obtained. This compound has been identified as tetrapropylammonium dibromocuprate(I), and its crystal structure determined from X-ray diffraction data. [N(C3H7)4][CuBr2] crystallizes in space groupP2/n, witha=13.010(15),b=7.577(5),c=8.858(4) Å,β=91.09(7)° andZ=2. The anion is a monomer in which Cu-Br is 2.194(3) Å and Br-Cu-Br 178.4(1)°, copper(I) being situated on a twofold axis.
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    Crystal and molecular structure of 17-β-methyl-α-isolupanineN-(16)-oxide perchlorate monohydrate (1989)
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    Journal of chemical crystallography 19 (1989), S. 193-201 
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    Notes: Abstract [C16H27N2O2]+·ClO 4 − ·H2O,M r=396.87, orthorhombicP212121 a=13.708(4),b=16.930(7),c=8.311(3) Å,V=1928.3(13) Å3,Z=4,D x=1.367(2) g cm−3,λ(MoKα)=0.71068 Å,μ(MoKμ)=1.95 cm−1,F(000)=848,T=292 K,R=0.061 for 1324 unique reflections. RingsA,B,C,D have half-chair, chair, chair and chair conformations, respectively; the quinolizidone moietyA/E has a quasi-trans and the quinolizidine moietyC/D has a trans configuration. The cations are connected into chains along the crystallographic direction [001] by strong hydrogen bonds utilizing the water molecule: C(2)=O(5)⋯O(W)⋯O(6)-N(16) of 2.623(7) and 2.574(7) Å, respectively. The water molecule is also hydrogen-bonded to one oxygen atom of the perchlorate anion: O(W)⋯O(2) is 3.106(10) Å. A very short intramolecular distance between N(1) and O(6) of 2.696(7) Å, due to the quasitrans-trans configuration of theα-isolupanine skeleton, is observed.
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    Crystal and molecular structure of 4-aminoacetyl-N-p-nitrophenylsulfanilamide (1989)
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    Journal of chemical crystallography 19 (1989), S. 289-298 
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    Notes: Abstract The crystal and molecular structure of 4-aminoacetyl-N-p-nitrophenylsulfanilamide (C14H13N3O5S), a derivative of sulfonamide, has been determined from X-ray diffraction data using Cu-Kα radiation. The compound crystallised in the monoclinic space groupP21/c, witha=12.258(9),b=7.339(5),c=16.359(9) Å,β=98.84(4)°. The structure was solved by direct methods and refined by full-matrix least-squares to a finalR value of 0.047 with 2487 unique reflections. In packing, the molecules are found to be stabilised by N-H⋯ O hydrogen bonds.
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    Crystal structure oftrans-[PtCl2(Me2PhP)(cis-2,5-dimethylpyrrolidine)] (1989)
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    Journal of chemical crystallography 19 (1989), S. 299-306 
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    Notes: Abstract The complextrans-[PtCl2 (Me2PhP)(cis-2,4-dimethylpyrrolidine)] has been characterized by X-ray crystallography. It crystallizes in the monoclinic space group P 22/c witha=8.762(3),b=16.034(5),c=12.600(4)Å,β=93.43(3)° andZ=4. The structure was solved by heavy atom method and refined toR=0.052 for 3251 observed counter reflections. The coordination sphere of the Pt atom is square-planar with a geometry very similar to that of the studied complexes of the type trans-[PtCl2(R3P)L] whereL is either one of the possible isomers of theC,C′-dimethylpyrrolidine or the unsubstituted pyrrolidine. In the present complex the puckered five-membered ring of the dimethylpyrrolidine ligand assumes an envelope conformation with the maximum puckering at the N atom.
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    Vibrational spectra and thermodynamic properties of 2,4,6-tribromobenzonitrile (1989)
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    Journal of chemical crystallography 19 (1989), S. 671-681 
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    Notes: Abstract The infrared and Raman spectra of 2,4,6-tribromobenzonitrile have been recorded in the solid state and in solutions. Assignments of the fundamental vibrations based on Raman polarization data and comparison with the spectra of benzonitrile and its trichloro derivative are given and discussed. The thermodynamic functions have been evaluated for a rigid-rotor harmonic oscillator approximation at several temperatures.
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    Geometric alignment in the structure of 6,8-dichloro-2-trichloromethyl-4-dichloromethylene-1,3-benzdioxin consistent with incipientcis-elimination of HCl (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 661-670 
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    Notes: Abstract Crystals of the title compound are monoclinic, P21/c, a=11.464(14),b=21.027(9),c=12.806(3) Å,β=108.00(6)°,V=2935.85 Å3,Z=8. The structure was solved by direct methods, from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer, and refined by full matrix least squares to a finalR value of 0.089 using 3949 reflections. The two nonequivalent molecules are both disordered to the same extent, the ratio of the two models being 0.8∶0.2. In the minor model the substituent hydrogen atom at the 2-position is exactly eclipsed by a chlorine atom in the 2-CCl3 group whereas in the major model the normal staggered conformation is observed. C-Cl bond lengths and C-C-Cl angles in the major model are normal whereas those in the minor model are C-Cl(A) 1.51(3), C-Cl(B) 1.67(3), C-Cl(C) 1.95(3) Å, where Cl(C) is eclipsed, for one molecule and 1.85(3), 1.67(3), 1.94(2) Å for the other. Corresponding C-C-Cl bond angles (deg) are 115(1), 114(1), 80(1); and 120(1), 126(1), 90(1). A comparison is given with a structure which is not disordered but in which similar changes in the geometry of a∶CCl.CCl3 group are found.
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    Crystal structure of racemic 5-(p-nitrobenzoylamino)-5-methyl-4-oxo-1,3-dioxane (1989)
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    Journal of chemical crystallography 19 (1989), S. 695-700 
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    Topics: Geosciences , Physics
    Notes: Abstract C12H12N2O6 crystallized from methanol in the monoclinic space group P21/c (Z=4) witha=13.333(4),b=10.154(3),c=9.597(2) Å andβ=102.37(2)°.M r=280.24,V=1269.1(6) Å3,D x=1.466 g cm−3,λ(Mo Kα)=0.71069 Å,μ=1.29 cm−1,T=295 K. The structure was solved by direct methods and refined by full-matrix least-squares to a finalR (R w)=0.049 (0.057) for 916 observed reflections. The molecules are linked by strong N-H⋯O(4) hydrogen bonds with N⋯O distance of 2.995(4) Å. The infinite racemic chains run in [001] direction.
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    Crystal structure of the diacetate of (+)-epipinoresinol, C24H26O8 (1989)
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    Journal of chemical crystallography 19 (1989), S. 733-744 
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    Notes: Abstract The crystal structure of the diacetate of (+)-epipinoresinol, C24H26O8, has been determined by single-crystal diffraction methods. The compound crystallizes in the monoclinic space groupP21 witha=7.506(3),b=8.526(4),c=17.746(8) Å,β=97.12(4)° andZ=2. A total of 3504 reflexion intensities were recorded on a Syntex P21 diffractometer (MoKα radiation) at room temperature. The structure was solved by direct methods and electron density calculations. Full-matrix least-squares refinement gaveR=0.056 for 2297 observed [I〉3σ(I] reflexions. The individual central tetrahydrofuran rings have envelope conformations with coplanar carbon atoms and the oxygen atoms as flaps; the carbon atom planes form an angle of 119.9(3)°. Bond distances are C-C (aromatic) 1.386(12) Å, C(sp 3)-O 1.421(12) Å, C(sp 2)-O 1.372(20) Å, and C(sp 2)=O 1.186(9) Å. The influence of molecular structure on the positions of signals in the1H nmr spectrum of the diacetate of (+)-epipinoresinol is discussed.
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    Crystal and molecular structure ofp-chlorothymols, I: 4-chloro-2-isopropyl-5-methylphenol (PCNT) (1989)
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    Journal of chemical crystallography 19 (1989), S. 765-773 
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    Crystal structure of a decahydroquinoline thiocarbamate derivative (SR33434) with anticalcic properties (1989)
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    Journal of chemical crystallography 19 (1989), S. 775-785 
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    Complexation with diol host compounds. Part 2. Structures of 1,1,2,2-tetraphenylethane-1,2-diol and its 1∶2 molecular inclusion complex with dimethylsulphoxide (1989)
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    Journal of chemical crystallography 19 (1989), S. 809-822 
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    Notes: Abstract The structures of 1,1,2,2-tetraphenylethane-1,2-diol and its 1∶2 molecular inclusion complex with dmso have been elucidated by X-ray crystallography from single crystal diffraction data. Crystals of the host, compound I, are monoclinic, space groupP21/n, witha=17.669(6) Å,b=6.144(6) Å,c=17.873(6) Å,β=92.67(3)°,z=4. Crystals of the clathrate, compound II, are triclinic,P¯1, witha=9.138(5) Å,b=18.384(6) Å,c=18.496(3) Å,α=61.16(2)°,β=83.22(3)°, γ=88.06(3)°,Z=4. Both structures were solved by direct methods and refined to finalR values of 0.072 and 0.107, respectively. Compound I is partially disordered and its packing is governed by strong intermolecular hydrogen bonds. Compound II is characterized by crossing channels which accommodate the guest dmso molecules. The thermal properties of the latter compound have been characterized by DTA and TGA thermograms.
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    Studies in molecular structure and conformation of aminophosphonic acids: Crystal and molecular structure ofN-phosphonomethyl-l-threonine (1989)
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    Journal of chemical crystallography 19 (1989), S. 861-871 
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    Notes: Abstract The crystal structure ofN′-phosphonomethyl-l-threonine has been determined from three-dimensional X-ray diffractometer data. The molecule crystallizes in the space groupP212121, witha=5.381(1),b=10.558(2),c=15.542(3)Å andz=4. The structure was solved by direct methods, and refined to anR value of 0.038 for 2477 reflections. The molecule exists as a zwitterion in the crystal, with the amino group portonated and the carboxyl group unionized; the phosphonic acid group is ionized. The molecule is in an extended conformation, with the P-C(1)-N-C(2) and C(1)-N-C(2)-C(4) torsion angles −171.1(2) and 166.7(2)°, respectively. The crystal structure is stabilized by five intermolecular and one intramolecular hydrogen bonds.
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    2α-Hydroxy-3α-[N-alkyl(aryl)]-pinanoamines. Part II. Synthesis and the nature of some pinanoamines and crystal and molecular structure of 2α-hydroxy-3α-(N-n-butyl)-pinanoamine hydrochloride (1989)
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    Journal of chemical crystallography 19 (1989), S. 893-903 
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    Notes: Abstract Several optically pure representatives of 2α-hydroxy-3α-[N-alkyl (aryl)] pinanoamines, potential chiral auxiliaries in organic synthesis, were obtained. In addition, a structural examination of 2α-hydroxy-3α-(N-n-butyl)-pinanoamine hydrochloride was conducted. Results of these studies confirm the structure of the amines obtained and the correctness of the proposed reaction pathway.Crystal data: C12H28NOCl,P21/c,a=13.196(1),b=8.562(1),c=14.276(1) Å,β=110.41(3)°,R=0.034 for 2046 reflections.
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    The crystal field theory for D2d symmetric complexes and the splitting of d-orbitals of Mo5+ in Mo[S2CN(C2H5)2]4I3 (1989)
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    Journal of chemical crystallography 19 (1989), S. 929-931 
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    Notes: Abstract The energy order assignment of the d-orbitals of Mo5+ in Mo[S2CN(C2H5)2]4I3 given by Jasimet al. (1985) is restudied and corrected. It is indicated that, in general, the energy order of the d-orbitals of D2d symmetric complexes is depending on the bond angles and bond lengths of the ligands, thus there cannot be any universal energy order.
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    Structure of 6β-acetoxyprogesterone, C23H32O4 (1989)
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    Journal of chemical crystallography 19 (1989), S. 949-955 
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    Notes: Abstract The X-ray crystal structure of 6β-acetoxyprogesterone, C23H32O4, has been determined. This compound crystallizes in space groupP212121 witha=13.195(3),b=15.035(4),c=10.705(3) Å,V=2139.8(9) Å3,M r=372.5,Z=4,D x=1.156g cm−3; MoKα radiation (λ=0.7107 Å),μ=0.72 cm−1,F(000)=808;R=0.069, andR w=0.052 for 1292 reflections. RingA adopts a normal 1α,2β-half-chair conformation. The side chain is typical for a 20-ketosteroid conformation.
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    Important announcement (1989)
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    Journal of chemical crystallography 19 (1989), S. 1-1 
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    The crystal and molecule structure of three 2,4,6-trinitrobenzene derivatives:α,α,α-trifluoro-2,4,6-trinitrotoluene (C7H2F3N3O6), 2,4,6-trinitrobenzamide (C7H4N4O7), 2,4,6-trinitrobenzoic acid (C7H3N3O8) (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 25-37 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structures of three 2,4,6-trinitrobenzene derivatives have been determined. Forα,α,α-trifluoro-2,4,6-trinitrotoluene (1): monoclinic,P21/n,a=7.510(2),b=9.273(2),c=14.984(0) Å,β=99.02(2)°,V=1028.1(4)° Å3,Z=4,D=1.816 g cm−3,R(F)=0.051, andR(wF)=0.055. For 2,4,6-trinitrobenzamide (2): orthorhombic,Pbca,a=9.248(3),b=14.377(6),c=17.729(4) Å,V=1958(1) Å3,Z=8,D=1.737 g cm−3,R(F)=0.073, andR(wF)=0.077. For 2,4,6-trinitrobenzoic acid (3): orthorhombic,P212121,a=6.553(1),b=11.405(2),c=12.796(2) Å,V=956.3(3) Å3,Z=4,D=1.785 g cm−3,R(F)=0.045, andR(wF)=0.046.1 crystallizes as discrete molecules,2 as weakly hydrogen-bonded dimers and3 as a chiral polymer of hydrogen-bonded helices. In1, the presence of the nonplanar CF3 substituent causes a large twisting of theα-nitro groups out of the plane of the benzene ring, whereas the nearly planar C(O)NH2 and C(O)OH substituents in2 and3 are perpendicular to the benzene plane and do not cause a significant rotation of theα-nitro groups.
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    Crystal and molecular structure of inner-chelatetrans-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diacetatozinc(II), C16H28N2O8Zn (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 369-378 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The molecular structure of trans-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diacetatozinc(II), complex (I), has been investigated by X-ray diffraction methods. It crystallizes in the monoclinic space groupP21/c, witha=16.229(2),b=12.001(1),c=9.778(1) Å,β=95.59(1)°, andZ=4. The structure was solved by direct methods, and refined by full-matrix least-squares toR=0.048. The zinc cation, placed asymmetrically in the macro-ring cavity, is six-coordinated to 2 N- and 2 O-atoms of the macrocycle, and to 2 O-atoms of two acetate groups, thus forming an irregular octahedral coordination sphere. The 18-diaza-crown-6 ring reveals approximate twofold symmetry (Δs=0.1 Å), with the axis through C2-C3 and C11-C12 midpoints.
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    2α-Hydroxy-3α-[N-alkyl(aryl)]pinanoamines. Part I. Preparation and nature of some Schiff bases of 2α-hydroxypinan-3-one. Crystal and molecular structure of α-hydroxy-2,6,6-trimethylbicyclo[3.1.1]hepta-3-ylidenaminobenzene (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 535-545 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Some Schiff bases of 2α-hydroxypinan-3-one, being precursors of 2α-hydroxy3α-[N-alkyl(aryl)]pinanoamines, were obtained. The crystal structure of racemic 2α-hydroxy-2,6,6-trimethylbicyclo-[3.1. 1]hept-3-ylidenaminobenzene was determined. The Schiff bases were obtained in two forms: solid form (racemate) and liquid form (optically pure). As it appeared from crystallographic studies of the racemic form, in the solid state there are intramolecular-H-bonded dimers.
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    Structure of crystal violet tetraphenylborate (1989)
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    Journal of chemical crystallography 19 (1989), S. 589-596 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of crystal violet tetraphenylborate has been determined. C25H30N3·C24H20B is orthorhombic, Pn21a, witha=9.497(6) Å,b=16.474(5) Å,c=25.894(9) Å,V=4051 Å3,M r =691.77,D calc =1.13 g cm−3 forZ=4,F(000)=1480, finalR=0.045, andR w =0.044 for 1842 observed reflections [F 0≥5σ(F 0)]. The compound was crystallized from acetone. It was found to conduct poorly in either the crystalline state or as a pressed pellet although it serves well as a solution electrolyte.
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    A novel mixed valence iodide bridged Te(II)-Te(IV) complex featuring diisopropyldithiocarbamate(L) and iodide: ILTeII(I)TeIVL2I (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 745-753 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound is a novel mixed ligand and mixed valence complex of tellurium, the crystal structure of which is reported here. The compound crystallizes in the orthorhombic space group, Pca21 with four molecules per unit cell, the dimensions of which area=15.209(1),b=20.159(2),c=12.453(1) Å. The structure was solved by the heavy-atom method and refined by fullmatrix least-squares method to a finalR=0.046 andR w=0.046 for 3011 unique reflections. The structure could be considered as 1∶1 adduct of TeIVL2I2 and TeIILI (L=diisopropyldithiocarbamate). The two tellurium atoms, TeII[Te(1)] and TeIV[Te(2)] display entirely different coordinations and are bridged through iodine I(1) in a symmetrical manner. There is a short Te(1)⋯Te(2) contact distance of 3.542(1) Å.
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  • 86
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    Crystal structure of 1,3-(N,N′-benzamide)-2-methyl-1-pentene (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 841-846 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals of the title compound are monoclinic (C20H22N2O2): space groupP21/n,a=11.800(3),b=13.820(2),c=11.004(3) Å,β=92.74(3)°. The structure was solved by direct methods and refined by block-matrix least-squares procedure to giveR=0.078 andRw=0.076 for 1960 reflections above 3σ(I). The two amide groups are not coplanar with respect to their benzene rings. An intramolecular N-H⋯O hydrogen bond was found in the molecules which are joined in chains by other strong N-H⋯O hydrogen bonds.
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    Complexation with diol host compounds. Part 3. Molecular inclusion of 4-methylcyclohexanone and 2-methylcyclohexanone by the host,trans-9,10-dihydroxy-9,10-diphenyl-9,10-dihydroanthracene (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 847-859 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the 1∶2 molecular complexes oftrans-9,10-dihydroxy-9,10-diphenyl-9,10-dihydroanthracene with 4-methylcyclohexanone (1) and with 2-methylcyclohexanone (2) have been determined by X-ray crystallography. The crystal data are as follows: Compound (1):P22/c,a=8.838(2) Å,b=8.92(1) Å,c=20.879(8)=Å,β=98.67(2)°,V=1627(2) Å3,Z=2 andR=0.062 for 2201 unique MoKα reflections; Compound (2):P¯1,a=8.917(3) Å,b=9.900(2) Å,c=11.250(4) Å,a=68.72(2)°,β=64.39(3)°, γ=74.86(2)°,V=828.1(5) Å3,Z=1 andR=0.098 for 2563 unique reflections. Both inclusion compounds exhibit O-H⋯O=C hydrogen bonding interactions. The thermal properties of these compounds have been characterized by DTA and TGA thermograms.
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  • 88
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    Crystal and molecular structure of 1-(2-isopropylcarbamoylpropan-2-ylamino) 3-(1-naphthyloxy)propan-2-ol (C20H28N2O3) (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 883-892 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of the title compound has been determined with three-dimensional MoKα X-ray diffraction data. The space group and unit-cell parameters are:P21/c,a=8.610(3) Å,b=13.516(5) Å,c=16.818(5) Å,β=94.95(3)° andV=1950.0(7) Å3. The structure was solved by direct methods, and refined by full-matrix least-squares techniques toR=0.0608 andR w=0.0648. The compound is a derivative of the popularβ-adrenolytic propranolol, and in the propanol part of the side chain shows the typicalgauche conformation.
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    On the absolute configuration of the synthetic macrolide patulolide C (1989)
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    Journal of chemical crystallography 19 (1989), S. 919-924 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
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    URL: http://dx.doi.org/10.1007/BF01185358
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    Preparation and electron spin resonance study of copper(II) complexes with sugar type ligands (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 911-918 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A series of copper(II) complexes with sugar type ligands (polyalcohols, sugar acids, di- and trisaccharides) was prepared. The compositions of the complexes were determined by standard analytical methods. The results showed that carboxylato and deprotonated alcoholic hydroxy groups participate in the complex formation. The EPR spectra and magnetic susceptibility data reflected the formation of species containing isolated copper(II) centers indicating that in those molecules which contain two copper ions, these are separated by sugar ligands.
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    Raman spectroscopic studies of gadolinium trichloride as a function of temperature (1989)
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    Journal of chemical crystallography 19 (1989), S. 39-49 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Laser Raman spectrometry is being used in our laboratory to identify the crystal structures of lanthanide and actinide compounds. The phonon Raman spectrum of an ionic, crystalline sample is characteristic of the particular crystal structure(s) exhibited by the sample. GdCl3 exhibits two crystal structures, UCl3-type hexagonal and PuBr3-type orthorhombic. In the literature it is proposed that the low-temperature form is the PuBr3-type orthorhombic. Results of experiments in our laboratory suggest that the low-temperature form is the UCl3-type hexagonal. Interconversion between these two forms can be accomplished with temperature. In the present work, laser Raman spectrometry was used to monitor crystal structure changes in GdCl3 as a function of temperature and to determine the temperature at which the orthorhombic-to-hexagonal phase transformation occurs.
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    Structural and spectroscopic properties of 2-thiophenecarboxaldehyde 2-thienylhydrazone (1989)
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    Journal of chemical crystallography 19 (1989), S. 93-98 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract In this paper the crystal and molecular structure of the title compound is reported. The crystals are monoclinic, P21/c,Z=4,a=13.406(4),b=5.367(1),c=15.545(6)Å,β=110.00(5)°. The structure was solved by direct and Fourier methods and refined by full-matrix least squares toR=0.0497 andRw=0.0537 for 1094 unique reflections. The molecule shows an E-conflguration with respect to the C=N double bond. Mass and IR spectra are also discussed.
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    Crystal structure and vibrational spectra of the methylmercury complex withl-alanine (1989)
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    Journal of chemical crystallography 19 (1989), S. 123-134 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The 1∶1 methylmercury complex withl-alanine belongs to the orthorhombic space groupP212121. The unit cell of dimensionsa=5.763(3),b=6.851(6),c=18.75(2) Å contains four molecules. The structure was refined on 584 nonzero reflections toR=0.050. The methylmercury ion has replaced an ammonium proton and is linearly bonded to the nitrogen atom. Mercury is also involved in secondary inter- and intramolecular contacts with carboxylate oxygen atoms. Infrared and Raman spectra of the amino-deuterated complex are discussed and compared with those of the undeuterated compound. A correlation is found between backbone conformation and the pattern ofυ Hg-N andυ Hg-C bands in the Raman spectra.
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    Synthesis and structure of 1-(2-amino)phenyl-2-phenyl-12H-indolo[3,2-c]carbazole ethylacetate solvate, a new indolocarbazole compound (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 277-287 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of a new indolo-carbazole compound, unique in having two indole rings with NH groupstrans-fused to a phenyl ring, has been determined by X-ray crystallography. The crystals are monoclinic, space groupP21/n,a=25.548(7),b=8.532(3),c=12.594(4) Å,β=93.50(2)°,V c=2740.1(2) Å3,Z=4,D k=1.240 g cm−3, λ (CuKα)=1.54178 Å,μ=5.79 cm−1,F(000)=1080,R=0.071,R w=0.080 for 2939 unique significant reflections measured at 298 K. The crystals retain one mole of ethyl acetate per molecule, which shows disorder. Restricted rotation of the phenyl and aminophenyl groups was detected by13C nmr. The title Indolo-carbazoles are easily obtained by reaction of 3-bromoindoles with 2,3′-biindolyls and show an interesting planar structure which could be investigated for anticancer properties.
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    Molecular and crystal structure of 1,4-diacethoxy naphthalene: Structural analysis of methyl substituted 1,4-diacethoxynaphthalenes (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 307-316 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Methyl substituted 1,4-diacethoxynaphthalenes have been synthetized and analyzed by means of ultraviolet and1H-nmr. Positional effects of the methyl substitution on the spectroscopic parameters have been rationalized. 6,7-Dimethyl-1,4-diacethoxynaphthalene,V, has been analyzed by X-ray diffraction techniques. Crystals are monoclinic P21,a=8.816(1),b=26.676(7),c=6.189(1) Å,β=103.9 (2) ° and four molecules in the unit cell.
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    Crystal and molecular structure of 3-(4-chlorobenzoylimino)-5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazole (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 507-512 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystal structure of the title compound belonging to the group ofα-acylimino derivatives of sulfur(II) compounds has been determined by X-ray structure analysis. The crystals are monoclinic, P21/c,a=11.210(2),b=8.197(1),c=13.659(2) Å,β=102.36(2)°,V=1226.0(3) Å3,Z=4,D x =1.61 g cm−3, λ(MoKα)=0.71069 Å,μ=6.3 cm−1. The structure has been refined to a finalR value of 0.035 for 1401 observed reflexions. The molecule is nearly planar with symmetrym. The title compound contains a very short intramolecular C=O⋯S contact of 2.328(3) Å, suggesting a ‘bond-non-bond’ resonance interaction.
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    Structure of 3α,12β-dihydroxy-2β-morpholino-5α-pregnan-20-one, C25H41O4N (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 561-568 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 3α,12β-dihydroxy-2β-morpholino-5α-pregnan-20-one, C25H41O4N, has been determined:M r =419.6,P21,a=13.5778(8),b=14.4340(8),c=5.8943(5) Å,β=94.32(1)°,V c =1151.9(3) Å3,Z=2,D x =1.21 g cm−3, $$\bar \lambda $$ (CuKα) = 1.5418 Å, μ=5.6 cm−1,F(000)=460,R=0.039,R w =0.040 for 2421 unique observed reflections. All six-membered rings have chair conformations, and theD ring has a 13β-envelope conformation. The progesterone side chain has an unusual conformation, and the C16-C17-C20-O20 torsion angle, which defines the conformation, is −152.6(3)°. The unusual conformation seems to be forced by the intramolecular hydrogen bond between the hydroxyl group at C12 and the O20 atom from the side-chain.
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    Structure of 17α-methyl-testosterone semihydrate, C20H30O2·1/2 H2O (1989)
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    Journal of chemical crystallography 19 (1989), S. 577-587 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of 17α-methyltestosterone hemihydrate, C20H30O2·1/2H2O, has been determined:M r =312.5, space groupP21212121,a=6.374(2),b=12.807(2),c=43.398(5)Å,V c =3543(2)Å3,Z=8,D x =1.172 mg−3, CuKα radiation ( $$\bar \lambda $$ = 1.54184 Å),μ(CuKα)=5.5 cm−1,F(000)=1376. The structure was solved usingMultan. The final conventionalR=0.053 (R w =0.052) for 3634 reflections. The structure contains two crystallographically independent molecules in the asymmetric part of the unit cell that have almost identical geometry.
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    Erratum (1989)
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    Journal of chemical crystallography 19 (1989), S. 623-623 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
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    Steroids and related studies, Part 76: Crystal and molecular structure of 4,17a-di(2-hydroxyethyl)-4,17a-diaza-d-homo-5α-androstane (HS461) (1989)
    Springer
    Journal of chemical crystallography 19 (1989), S. 629-640 
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    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of 4,17a-di(2-hydroxyethyl)-4,17a-diaza-d-homo-5α-androstane, C22N2O2H40 (HS461), the tertiary amine related to HS781, a potential bisquaternary neuromuscular blocking agent, has been determined by direct methods and refined by full-matrix least squares toR=0.0867 for 2049 reflections (R=0.0597), CuKα radiation θ≦65°. The space group is P212121 a=20.295(4),b=7.278(6),c=14.052(4) Å,Z=4. The rings in the modified steroid nucleus are alltrans connected symmetrical chairs. Hydroxyethyl side groups at N(4) and N(17a) both have an equatorial disposition, and the side chains assumetrans conformations.
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