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  • 1
    Electronic Resource
    Electronic Resource
    The crystal and molecular structures of highly substituted cubanes: 1,2,4,7-tetra(carboxymethyl)cubane and 1,2,3,5,7-penta(carboxymethyl)cubane (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 661-670 
    Details
    ISSN: 1572-8854
    Keywords: Tetrasubstituted cubane derivatives ; pentasubstituted cubane derivatives ; 1,2-disubstituted cubane structures ; cubane structures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the title compounds, 1,2,4,7-tetra(carboxymethyl)cubane 1 and 1,2,3,5,7-penta(carboxymethyl)cubane2, have been determined.1 crystallized in the space group $$P\bar 1$$ with cell dimensionsa=6.098(2),b=10.686(2),c=13.459(2) Å, α=69.82(1), β=77.01(1), γ=74.00(1)°, while2 crystallized in the monoclinic space group P21/c with cell dimensionsa=15.139(2),b=12.775(1),c=9.849(2) Å, β=107.01(1)°. These molecules were derived from their parent carboxylic acids by esterification with methanol. They are unusual for several reasons. The first is that they both contain substituents on adjacent carbon atoms in the cubane framework. There are only a few reports in the literature of this type of cubane structure. The second molecule is unique in that it has five substituents attached to a cubane moiety. This is the one of the few cubane derivatives with more than four substituents to be structurally characterized and results in a cubane molecule in which there are three faces with three substituents and three faces with only two substituents.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665973
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  • 2
    Electronic Resource
    Electronic Resource
    Distortions in nitramine substituted cubanes: The structures of N,N′-dinitro-1,4-diaminocubane, N,N′-dinitro-N,N′-(2-pyridyl)-1,4-diaminocubane, and 1,2,4,7-tetrakis(N-methoxycarbonylnitramino)cubane (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 381-388 
    Details
    ISSN: 1572-8854
    Keywords: Nitramine structures ; cubane structures ; nitramine substituted cubanes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of three nitramine substituted cubane molecules, N,N′-dinitro-1,4-diaminocubane (1), N,N′-dinitro-N,N′-(2-pyridyl)-1,4-diaminocubane (2), and 1,2,4,7-Tetrakis(N-methoxycarbonylnitramino)-cubane (3), have been determined.1 crystallized in the space group P21/a with cell dimensionsa=6.545(1),b=9.331(1),c=7.459(1) Å, β=105.80(1),2 crystallized in the monoclinic space group P21/a with cell dimensionsa=7.545(2),b=8.697(3),c=12.406(4 Å, β=96.28(3)°, while3 crystallized in the monoclinic space group P21/c with cell dimensionsa=10.866(3),b=6.866(2),c=16.167(6) Å, β=108.79(3)°. The metrical parameters of the cubane skeleton showed no significant deviations from those found in other similarly substituted cubane molecules. For2 and3 there were considerable distortions of the nitramine moiety from planarity in contrast to1 where the nitramine moiety was almost exactly planar. The bond distances and angles for the nitramine group in1 indicates a substantial introduction of double bond character into the N−N bond in1, achieved by delocalization of the amine π lone pair, compared with2 and3.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665815
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