The crystal structure of cholesteryl oleate

Add time:07/29/2019    Source:sciencedirect.com

Crystals of cholesteryl oleate (C45H78O2) are monoclinic, space group P21, with a = 12.65(3), b = 9.13(3), c = 18.79(5)Å, 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 dmin = 1.1 Å, using 799 X-ray intensities (CuKα) 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.

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