Piccialli Vincenzo, Tuzi Angela, Centore Roberto
Dipartimento di Scienze Chimiche, Università degli Studi di Napoli 'Federico II', Complesso di Monte S. Angelo, Via Cinthia, 80126 Napoli, Italy.
Acta Crystallogr E Crystallogr Commun. 2017 Apr 28;73(Pt 5):780-784. doi: 10.1107/S2056989017006065. eCollection 2017 May 1.
The title compound, CHO, is a product of oxidation of squalene with the catalytic system RuO(cat.)/NaIO. The asymmetric unit contains two crystallographically independent mol-ecules of very similar geometry approximately related by the non-crystallographic translation vector /2. As a consequence, the average diffracted intensity in the layers with odd is systematically lower than in the layers with even . In one mol-ecule, the lactone ring and part of the adjacent tetra-hydro-furan ring are disordered over two orientations with refined occupancy ratio of 0.831 (10):0.169 (10). The crystal structure is mainly governed by van der Waals forces.
标题化合物CHO是角鲨烯在RuO(催化剂)/NaIO催化体系作用下氧化的产物。不对称单元包含两个晶体学独立分子,其几何结构非常相似,通过非晶体学平移矢量/2大致相关。因此,奇数层的平均衍射强度系统地低于偶数层。在一个分子中,内酯环和相邻四氢呋喃环的一部分在两个取向之间无序排列,细化占有率为0.831(10):0.169(10)。晶体结构主要由范德华力决定。