Acta Cryst. (2012). E68, o237 [ doi:10.1107/S1600536811054249 ]
Abstract: The title cholestan, C28H46O3, was prepared by epoxidation of 7-norcholest-5-en-3-yl acetate and crystallized by slow evaporation from an ethanolic solution. All rings are trans fused. The 3-acetate and the 17-cholestane side chain are in equatorial positions. The molecule is highly twisted due to its B-nor characteristic. A quantum chemical ab-initio Roothaan Hartree-Fock calculation of the equilibrium geometry of the isolated molecule gives values for bond lengths and valency angles in close agreement with the experimental ones.
Online 23 December 2011
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