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  • X-ray crystal structure analysis  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Crystal and moleclar structures of 5-allyl-25-methoxy-26,27,28-tribenzoylcalix[4]arene (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 199-207 
    Details
    ISSN: 1573-1111
    Keywords: calix[4]arene ; X-ray crystal structure analysis ; enzyme mimic
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal and molecular structures of 5-allyl-25-methoxy-26,27,28-tribenzoylcalix[4]arene, an unsymmetrically substituted macrocycle, are reported. The space group is orthorhombic,P212121, witha=13.4181(6),b=16.6652(10) andc=18.9936(14) Å andZ=4. Refinement by least-squares calculations converged with aR=0.060 for 4018 observed reflections. The molecule assumes a 1,3 alternate conformation with 2 benzoate rings and the disordered allyl side chain on one side and the third benzoate ring and the methoxy group on the opposite side of the mean plane of the methylene bridging groups. The four phenyl rings that comprise the macrocycle are approximately parallel in pairs; the members of a pair are 5.6 Å apart. The carbonyl oxygen atoms of the 3 benzoate groups are oriented away from the center of the cavity while the ester oxygen atoms and the methoxy oxygen atom are oriented toward the cavity center.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00655935
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  • 2
    Electronic Resource
    Electronic Resource
    Calixarenes 11. Crystal and molecular structure ofp-tert-butylcalix[8]arene (1985)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 3 (1985), S. 447-451 
    Details
    ISSN: 1573-1111
    Keywords: X-ray crystal structure analysis ; cyclic oligomer ofp-tert-butylphenol and formaldehyde, calixarene conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Monoclinic prisms were obtained by slow evaporation of a pyridine solution ofp-tert-butylcalix[8]arene: space groupP21/c,a=20.312(3),b=23.020(2),c=20.006(6) Å; β=113.05(2)0;V=8707.6 Å3;Z=4. Refinement led to anR value of 0.166 for 4231 reflections which, although high, is sufficient to establish the conformation of the molecule as a pleated loop in which the eight hydroxyl groups are arranged in a slightly undulating, almost planar, intramolecularly hydrogen bonded cyclic array. The possible inferences for the conformation ofp-tert-butylcalix[8]arene in solution are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00657496
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    Paper (German National Licenses)
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