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

Piccialli V.; Tuzi A.; Centore R.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of a new spiro-polytetra-hydro-furan compound with translational pseudosymmetry: rac-(2S,2′S,5′R)-2-methyl-5′-[(1R,2R,5S,5′R)-1,4,4,5′-tetra-methyl-dihydro-3′H-3,8-dioxa-spiro[bi-cyclo-[3.2.1]octane-2,2′-furan]-5′-yl]hexa-hydro[2,2′-bi-furan]-5(2H)-one

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Crystal structure of a new spiro-polytetra-hydro-furan compound with translational pseudosymmetry: rac-(2S,2′S,5′R)-2-methyl-5′-[(1R,2R,5S,5′R)-1,4,4,5′-tetra-methyl-dihydro-3′H-3,8-dioxa-spiro[bi-cyclo-[3.2.1]octane-2,2′-furan]-5′-yl]hexa-hydro[2,2′-bi-furan]-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-（2S，2'S，5'R）-2-甲基-5'-[（1R，2R，5S，5'R） -1,4,4,5'-四甲基-二氢-3'H-3,8-二氧杂螺环[双环-[3.2.1]辛烷-2,2'-呋喃] -5'- yl] hexa-hydro [2,2'-bi-呋喃] -5（2H）-one

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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 mol-ecules 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 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.

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非常相似的几何学上与晶体学无关的分子，这些分子与非晶体学翻译向量c / 2大致相关。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，精确的占有率为0.831？（10）：0.169？（10）。晶体结构主要由范德华力控制。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第5期|共5页
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Piccialli V.; Tuzi A.; Centore R.;
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1. Pseudosymmetry and high Z′ structures: the case of rac-(2R,2′R,5′S)-2-methyl-5′-[(1R,2R,5S,5′S)-1,4,4,5′-tetra-methyl-dihydro-3′H-3,8-dioxa-spiro-[bi-cyclo-[3.2.1]octane-2,2′-furan]-5′-yl]-3,4,1′,2′,3′,4′-hexa-hydro-[2,2′-bi-furan]-5(2H)-one [J] . Piccialli V., Tuzi A., Centore R. Acta Crystallographica Section E: Crystallographic Communications . 2017,第9期

机译：伪对称性和高Z'结构：rac-（2R，2'R，5'S）-2-甲基-5'-[（1R，2R，5S，5'S）-1,4,4， 5'-四甲基-二氢-3'H-3,8-二氧杂螺环-[双环-[3.2.1]辛烷-2,2'-呋喃] -5'-基] -3,4 ，1'，2'，3'，4'-六氢-[2,2'-二呋喃] -5（2H）-
2. Pseudosymmetry and high Z′ structures: the case of rac-(2R,2′R,5′S)-2-methyl-5′-[(1R,2R,5S,5′S)-1,4,4,5′-tetra-methyl-dihydro-3′H-3,8-dioxa-spiro-[bi-cyclo-[3.2.1]octane-2,2′-furan]-5′-yl]-3,4,1′,2′,3′,4′-hexa-hydro-[2,2′-bi-furan]-5(2H)-one [J] . Piccialli V., Tuzi A., Centore R. Acta Crystallographica Section E: Crystallographic Communications . 2017,第9期

机译：伪对称性和高Z'结构：rac-（2R，2'R，5'S）-2-甲基-5'-[（1R，2R，5S，5'S）-1,4,4， 5'-四甲基-二氢-3'H-3,8-二氧杂螺环-[双环-[3.2.1]辛烷-2,2'-呋喃] -5'-基] -3,4 ，1'，2'，3'，4'-六氢-[2,2'-二呋喃] -5（2H）-
3. Crystal structure of (1R,3aR,7aR)-1-{(S)-1-[(2R,5S)-5-(3-hydroxypentan-3-yl)tetrahydrofuran-2-yl]ethyl}-7a-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-one [J] . Mart#237, nez A., Santalla H., Acta Crystallographica Section E: Crystallographic Communications . 2017,第2期

机译：（1R，3aR，7aR）-1-{（S）-1-[（2R，5S）-5-（3-hydroxypentan-3-yl）tetrahydrofuran-2-yl] ethyl} -7a-甲基的晶体结构-2,3,3a，4,5,6,7,7a-八氢-1H-茚满-4-one
4. 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 [O] . Vincenzo Piccialli, Angela Tuzi, Roberto Centore 2017

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
5. Crystal structure of a new spiro-polytetrahydrofuran compound with translational pseudosymmetry: rac-(2S,2'S,5'R)-2-methyl-5'-[(1R,2R,5S,5'R)-\ud 1,4,4,5'-tetramethyldihydro-3'H-3,8-dioxaspiro-[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]hexahydro-[2,2'-bifuran]-5(2H)-one [O] . Vincenzo, Piccialli, Angela, Tuzi, Roberto, Centore 2017

机译：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：rac-（2s，2's，5'R）-2-甲基-5' - [（1R，2R，5s，5'R） - 1,4,4,5'-tetramethyldihydro-3'H -3,8-二氧杂螺[双环[3.2.1]辛烷-2,2-二呋喃] -5'-基]六氢 - [2,2' -bifuran] -5-（2H） - 酮

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

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