二元固体中的分子相互作用：胆甾醇酯固溶体的晶体结构
Molecular interactions in binary solids: crystal structure of a cholesteryl ester solid solution.
作者信息
Dorset D L, Pangborn W A
机构信息
Medical Foundation of Buffalo, Inc., NY 14203.
出版信息
Proc Natl Acad Sci U S A. 1992 Mar 1;89(5):1822-6. doi: 10.1073/pnas.89.5.1822.
The x-ray crystal structure analysis of a cholesteryl ester solid solution, cholesteryl undecanoate/cholesteryl laurate in a molar ratio 0.52/0.48, is described. The unit cell is monoclinic with a = 13.005(2) A, b = 9.005(1) A, c = 31.421(3) A, and beta = 90.82(1) degrees and the space group P2(1) with Z = 4 (two molecules per asymmetric unit). Thus, the d001 spacing is almost the value predicted by Vegard's law from the values for the pure compounds. The room-temperature crystal structure is very much like that of cholesteryl laurate monolayer I packing, in the form where the esterified fatty acid chains are fully extended, with no salient sign of conformational disorder seen in this binary solid. The final R factor for 6571 observed reflections is 0.097.
本文描述了一种胆甾醇酯固溶体（摩尔比为0.52/0.48的十一烷酸胆甾醇酯/月桂酸胆甾醇酯）的X射线晶体结构分析。晶胞为单斜晶系，a = 13.005(2) Å，b = 9.005(1) Å，c = 31.421(3) Å，β = 90.82(1)°，空间群为P2(1)，Z = 4（每个不对称单元有两个分子）。因此，d001间距几乎是根据维加德定律从纯化合物的值预测得到的值。室温晶体结构与月桂酸胆甾醇酯单层I堆积的结构非常相似，在这种形式下，酯化脂肪酸链完全伸展，在这种二元固体中没有明显的构象无序迹象。对6571个观测反射的最终R因子为0.097。
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