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具有平移假对称性的新型螺-聚四氢呋喃化合物的晶体结构：-(2,2',5')-2-甲基-5'-[(1,2,5,5')-1,4,4,5'-四甲基-二氢-3'-3,8-二氧杂螺[双环-[3.2.1]辛烷-2,2'-呋喃]-5'-基]六氢[2,2'-联呋喃]-5(2)-酮

Crystal structure of a new spiro-polytetra-hydro-furan compound with translational pseudosymmetry: -(2,2',5')-2-methyl-5'-[(1,2,5,5')-1,4,4,5'-tetra-methyl-dihydro-3'-3,8-dioxa-spiro[bi-cyclo-[3.2.1]octane-2,2'-furan]-5'-yl]hexa-hydro[2,2'-bi-furan]-5(2)-one.

作者信息

Piccialli Vincenzo, Tuzi Angela, Centore Roberto

机构信息

Dipartimento di Scienze Chimiche, Università degli Studi di Napoli 'Federico II', Complesso di Monte S. Angelo, Via Cinthia, 80126 Napoli, Italy.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Apr 28;73(Pt 5):780-784. doi: 10.1107/S2056989017006065. eCollection 2017 May 1.

DOI:10.1107/S2056989017006065
PMID:28529798
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5418806/
Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bbf/5418806/8dec759c64a3/e-73-00780-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bbf/5418806/b1d1439798b2/e-73-00780-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bbf/5418806/50645ae06897/e-73-00780-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bbf/5418806/8dec759c64a3/e-73-00780-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bbf/5418806/b1d1439798b2/e-73-00780-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bbf/5418806/50645ae06897/e-73-00780-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3bbf/5418806/8dec759c64a3/e-73-00780-fig6.jpg

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