Abstract
Crystals of cholesteryl oleate (C 45H 78O 2) are monoclinic, space group P2 1, with a = 12.65(3), b = 9.13(3), c = 18.79(5) A ̊ , β = 93.3(3)° and have 2 molecules in the unit cell. The crystal structure has been determined by Patterson and Fourier methods at a resolution d min = 1.1 A ̊ , using 799 X-ray intensities (CuKα) measured by a diffractometer. Structure refinement by block-diagonal least squares gave R = 0.12. The oleate chains are almost straight except for a kink at the cis-double bond. The chains pack side by side but without a regular sub-cell structure, in a manner which might be similar to the arrangement within biological membranes. As in cholesteryl octanoate, the cholesteryl ring systems pack together with extensive overlap of anti-parallel nearest neighbours. Projecting methyl groups interlock.
Published Version
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