首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of a new spiro-polytetra­hydro­furan compound with translational pseudosymmetry: rac-(2S2′S5′R)-2-methyl-5′-(1R2R5S5′R)-1445′-tetra­methyl­dihydro-3′H-38-dioxa­spirobi­cyclo­3.2.1octane-22′-furan-5′-ylhexa­hydro22′-bi­furan-5(2H)-one
【2h】

Crystal structure of a new spiro-polytetra­hydro­furan compound with translational pseudosymmetry: rac-(2S2′S5′R)-2-methyl-5′-(1R2R5S5′R)-1445′-tetra­methyl­dihydro-3′H-38-dioxa­spirobi­cyclo­3.2.1octane-22′-furan-5′-ylhexa­hydro22′-bi­furan-5(2H)-one

机译:具有翻译假对称性的新型螺-聚四氢呋喃化合物的晶体结构:rac-(2S2S5R)-2-甲基-5-(1R2R5S5R)-14 45-四甲基二氢-3H-38-二氧杂螺双环3.2.1辛烷-22-呋喃 -5-基六氢22-二呋喃 -5 (2H)-一

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摘要

The title compound, C22H34O6, is a product of oxidation of squalene with the catalytic system RuO4(cat.)/NaIO4. The asymmetric unit contains two crystallographically independent mol­ecules of very similar geometry approximately related by the non-crystallographic translation vector >c/2. As a consequence, the average diffracted intensity in the hkl layers with odd l is systematically lower than in the layers with even l. In one mol­ecule, the lactone ring and part of the adjacent tetra­hydro­furan 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.
机译:标题化合物C22H34O6是角鲨烯与RuO4(cat。)/ NaIO4催化体系氧化的产物。不对称单元包含两个几何学上非常相似的晶体学独立分子,这些分子与非晶体学翻译向量> c / 2近似相关。结果,具有奇数l的hkl层中的平均衍射强度系统地低于具有偶数l的hkl层中的平均衍射强度。在一个分子中,内酯环和相邻的四氢呋喃环的一部分在两个方向上是无序的,精化占有率为0.831(10):0.169(10)。晶体结构主要由范德华力控制。

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