| Literature DB >> 2610971 |
J R Peterson1, T J Smillie, R D Rogers.
Abstract
C14H16O6, Mr = 280.28, monoclinic, P2(1)/c, a = 6.070 (2), b = 9.526 (5), c = 22.418 (5) A, beta = 94.32 (2) degrees, V = 1293 A3, Z = 4, Dx = 1.44 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 0.71 cm-1, F(000) = 592, T = 293 K, final R = 0.043 for 1400 observed [F0 greater than or equal to 5 sigma(F0)] reflections. The observed structure confirms a trans stereorelationship for the two substituents and an envelope conformation for the lactone ring. There is no crystallographically imposed symmetry. An analysis of the closest contacts in the cell lattice reveals two types of intermolecular interactions for this compound.Entities:
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Year: 1989 PMID: 2610971 DOI: 10.1107/s0108270188011151
Source DB: PubMed Journal: Acta Crystallogr C ISSN: 0108-2701 Impact factor: 1.172