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  • 1
    Electronic Resource
    Electronic Resource
    p-Methyltetrahomodioxacalix[4]arene (2001)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 833-834 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title compound, 7,13,21,27-tetramethyl-3,17-dioxapentacyclo[23.3.1.15,9.111,15.19,23]ditriaconta-1(29),5,7,9(30),11(31),-12,14,19(32),20,22,25,27-dodecaene-29,30,31,32-tetraol, C34H36O6, assumes in the solid state a very distorted cone-like conformation stabilized by intramolecular simple and bifurcated hydrogen bonds involving both phenolic and ether O atoms. One part of the molecule, comprising an ether link, is included in the cavity of an adjacent calixarene related by a screw axis, giving rise to a one-dimensional self-inclusion polymer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270101005753
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  • 2
    Electronic Resource
    Electronic Resource
    Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes (2001)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 978-981 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Three methoxy-ether and one methoxy-ether/crown-ether derivatives of p-tert-butyltetrahomodioxa- and p-R-octahomotetraoxacalix[4]arenes (R = methyl, tert-butyl, H) have been investigated. The first three compounds, 7,15,21,27-tetra-tert-butyl-29,30,31,32-tetramethoxy-3,11-dioxapentacyclo[23.3.1.15,9.113,17.119,23]ditriaconta-1(29),5,7,9(30),13,15,-17(31),19,21,23(32),25,27-dodecaene, C50H68O6, 33,34,35,36-tetramethoxy-7,15,23,31-tetramethyl-3,11,19,27-tetraoxapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodecaene, C40H48O8, and 7,23-di-tert-butyl-33,34,35,36-tetramethoxy-3,11,19,27-tetraoxapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5,7,9(34),13,15,17(35),- 21,23,25(36),29,31-dodecaene, C44H56O8, in the partial-cone or 1,2-alternate conformations, present the common feature of methoxy-ether self-inclusion, while the fourth, 42,43-dimethoxy-7,15,23,31-tetramethyl-3,11,19,27,34,37,40-heptaoxahexacyclo[15.15.9.15,9.121,25.013,41.029,33]tritetraconta-5(42),6,8,13(41),14,16,21(43),22,24,29(33),30,32-dodecaene, C42H50O9, adopts the 1,3-alternate conformation owing to the presence of a 1,3-polyether chain.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S010827010100823X
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  • 3
    Electronic Resource
    Electronic Resource
    Leurosine methiodide–methanol–water (1/3/2)Chemical Abstracts name: 4′-deoxy-3′,4′-epoxy-6′-methylvincaleukoblastin-6′-ium iodide–methanol–water (1/3/2). (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 225-226 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The crystal structure of a methanol–water solvate ofleurosine methiodide, (leurosine-CH3)+I−·3CH3OH·2H2O (C47H59IN4O9·3CH3OH·2H2O), is described. The piperidine ring of the upper part of the molecule adopts a sofa conformation. An intramolecular hydrogen bond between the tertiary N and the hydroxyl group of the vindoline moiety of the molecule is present.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270199014055
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  • 4
    Electronic Resource
    Electronic Resource
    A 1:1:1 chloroform/tetrahydrofuran solvate of p-tert-butyltetrahomodioxacalix[4]arene (2001)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 70-71 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title compound, 7,13,21,27-tetra-tert-butyl-3,17-dioxapentacyclo[23.3.1.15,9.111,15.19,23]ditriaconta-1(29),5,7,9(30),11(31),12,14,19(32),20,22,25,27-dodecaene-29,30,31,32-tetraol, crystallizes as a solvate with one molecule of chloroform and one molecule of tetrahydrofuran, C46H60O6·CHCl3·C4H8O. The calixarene assumes a cone-like conformation stabilized by intramolecular hydrogen bonds involving both phenolic and ether O atoms. The two solvent molecules are located in each of the two half-cone cavities of the calixarene.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100013329
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  • 5
    Electronic Resource
    Electronic Resource
    Inclusion of HNEt3+ in an acyclic tetraphenolate (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 997-998 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The acyclic tetraphenolic derivative 2,2′-methylenebis[6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenol] reacts with excess triethylamine in acetonitrile to form a molecular complex, i.e. triethylammonium 2-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-6-[3-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2-hydroxy-5-methylbenzyl]-4-methylphenolate acetonitrile solvate, C6H16N+·C39H47O4−·C2H3N, where the organic HNEt3+ cation is included in the partial cone defined by the aromatic faces of the acyclic polyphenolate.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100006582
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  • 6
    Electronic Resource
    Electronic Resource
    5,11,17,23-Tetra-tert-butyl-25,27-bis(carboxymethoxy)-26,28-bis(2-methoxyethoxy)calix[4]arene–methanol (1/1) (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 343-344 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: In the methanol solvate crystal form of the title diacid diglycol calixarene, C54H72O10·CH4O, two calixarene molecules (in the cone conformation) are dimerized via two methanol molecules hydrogen bonded to the carboxyl groups. An intramolecular bond is also formed between a carboxylic proton and an ether O atom. This result is relevant to the interpretation of the acidic and complexation properties of calixarene carboxylic acids.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S010827019901522X
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  • 7
    Electronic Resource
    Electronic Resource
    Three conformational polymorphs and order–disorder phase transition in a calix[4]arene bis(crown) (1999)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 55 (1999), S. 95-103 
    Details
    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Three polymorphs of a calix[4]arene fixed in the 1,3-alternate conformation by two bridges, a crown-6 on one side and a crown-6 including a photoisomerizable azobenzene unit on the other, 8,11,14,28,31,34,37,40,43,57,60,63-dodecaoxa-2,3-diazanonacyclo[62.2.2.24,7.116,45.126,55.015,20.022,27.044,49.051,56]doheptaconta-1(66),2,4,6,15,17,19,22,24,26,44,46,48,51,53,55,64,67,69-nonadecene, have been characterized by single-crystal X-ray diffraction. In all the polymorphs the azobenzene group is in the more stable trans conformation. The polymorphism arises from the high conformational flexibility of the bridges, which are arranged differently and are highly disordered in the two monoclinic forms (1) and (2a). Form (2a) presents a phase transition near 268 (2) K, leading to a triclinic form (2b), differing from the high-temperature form by some ordering of the chains and a subsequent reduction in crystallographic site multiplicity. The evolution of the cell parameters and peak width with temperature has been investigated down to 173 (2) K. Adiabatic calorimetry measurements indicate a smooth transition centered at 265.0 (1) K, with a heat capacity jump of 60 mJ g−1 K−1, suggesting a second-order nature for the transition.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108768198009252
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  • 8
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure of the spin-crossover complex bis(pyridine) [N,N′-ethylenebis (3-carboxysalicylaldimine)] cobalt (II) (1988)
    Springer
    Journal of chemical crystallography 18 (1988), S. 429-437 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The average structure of the title compound, Co(H2fsa2en)(py)2, which has been shown previously to exhibit a thermally induced high-spin ↔ low-spin crossover, has been investigated by single-crystal X-ray diffraction. This structure has been solved in the monoclinic space groupC2/c (No. 15), with cell dimensionsa=16.641(5),b=9.496(4),c=16.329(6) Å, andβ=95.47(3)°;V=2569(3) Å3,M r =571.46,Z=4,D x =1.478 mg m−3; MoKα radiation (graphite crystal monochromator),λ=0.71073 Å,μ(MoKα)=7.138 cm−1;T=295 K andR=0.081 for 681 observed [I〉3σ(I)] independent reflections. The cobalt(II) ion resides on a twofold axis in an elongated octahedral environment, the length of the apical bond (formed with pyridine) being 2.262(12) Å and the mean length of the equatorial bonds (formed with the Schiff base) 2.079(12) Å. These values are consistent with the magnetic behavior, which suggested a distorted surrounding for the metal atom. The packing is essentially governed by the parallelism of the salicylaldimine ligands. The two pyridine rings of the molecule are twisted by ~98° on each side of the basal plane; they are probably affected by orientational disorder or, if ordered, they might be described in a superstructure not yet established.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01195694
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  • 9
    Electronic Resource
    Electronic Resource
    Crystal Structure of a p-Benzylcalix[5]arene- pyridine Complex (1998)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 31 (1998), S. 357-365 
    Details
    ISSN: 1573-1111
    Keywords: calixarenes ; crystal structure ; supramolecular assembly
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract p-Benzylcalix[5]arene.3py (py = pyridine) (1) crystallizes in the triclinic space group P1, a = 10.641(3), b = 13.975(3), c = 24.052(12) Å, α = 94.60(4), β = 91.51(4), γ = 111.46(2)°, V = 3312(4) Å3, Z = 2. Refinement led to a final conventional R value of 0.065 for 5457 reflections. The calixarene is in a distorted cone conformation. Two pyridine molecules are hydrogen bonded to phenolic oxygen atoms and one of them is included in the hydrophobic cavity of the neighboring calixarene molecule along the a axis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007964510691
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  • 10
    Electronic Resource
    Electronic Resource
    Octa(p-hydroxy)octakis(propyloxy)calix[8]arene: The First Crystal Structure of a p-Hydroxy Calixarene (2000)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 36 (2000), S. 259-266 
    Details
    ISSN: 1573-1111
    Keywords: calixarene ; hydroquinone derivative ; crystal structure ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Octa(p-ydroxy)octakis(propyloxy)calix[8]arene.9(pyridine).2(H2O) crystallises in the triclinic space group P-1, a = 14.083(2), b = 14.478(2), c = 15.652(2) Å, α = 70.109(4), β = 74.146(3), γ = 75.572(4)°, V = 2843(1) Å3, Z = 1. Refinement led to a final R1 value of 0.0757 for 4693 reflections. The calixarene sits around a crystallographic centre of inversion and is in the `chair-like' conformation. All p-hydroxyl groups form hydrogen bonds with either pyridine or water molecules leading the extended structure to be composed of infinite ribbons parallel to the [1,0,-1] direction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1008018628939
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