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Structure of 1,2,3,4,5,6-hexa-O-acetyl-myo-inositol.

作者信息

Abboud K A, Simonsen S H, Voll R J, Younathan E S

机构信息

Department of Chemistry, University of Texas, Austin 78712.

出版信息

Acta Crystallogr C. 1990 Nov 15;46 ( Pt 11):2208-10. doi: 10.1107/s010827019000230x.

DOI:10.1107/s010827019000230x
PMID:2073373
Abstract

C18H24O12, Mr = 432.4, monoclinic, Cc, a = 8.996 (3), b = 20.890 (6), c = 11.872 (4) A, beta = 101.11 (2) degrees, V = 2189 (1) A3, Z = 4, Dx = 1.312 g cm-3, Mo K alpha, lambda = 0.71069 A, mu = 1.05 cm-1, F(000) = 912, T = 163 K, R = 0.041, wR = 0.0375 for 2158 reflections (Fo greater than or equal to 6 sigma magnitude of Fo). The ring is in the chair conformation 4C1 with five equatorial groups and one axial group bonded to C(2) as expected. The carbonyl bonds of the acetate groups at positions 2, 4, 5 and 6 are approximately coplanar with their respective ring C-H bonds. However, those at positions 1 and 3 are rotated towards the H(2) atom.

摘要

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