Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetra-methyl-3a,6,7,7a,3′a,6′,7′,7′a-octa-hydro-4,4′-bi[1,3-benzodioxol-yl], obtained from a Pd-catalyzed homocoupling reaction

Macías M.A.; Pandolfi E.; Schapiro V.; Silveira G.P.; Vilela G.D.; Suescun L.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetra-methyl-3a,6,7,7a,3′a,6′,7′,7′a-octa-hydro-4,4′-bi[1,3-benzodioxol-yl], obtained from a Pd-catalyzed homocoupling reaction

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Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetra-methyl-3a,6,7,7a,3′a,6′,7′,7′a-octa-hydro-4,4′-bi[1,3-benzodioxol-yl], obtained from a Pd-catalyzed homocoupling reaction

机译：（3aR，3'aR，7aS，7'aS）-2,2,2'，2'-四甲基-3a，6,7,7a，3'a，6'，7的晶体结构和绝对构型由Pd催化的均偶联反应制得的'，7'a-八氢-4,4'-bi [1,3-苯并二恶唑基]

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The absolute configuration, i.e. (3aR,3′aR,7aS,7′aS), of the title compound, C18H26O4, synthesized via a palladium-catalyzed homocoupling reaction, was determined on the basis of the synthetic pathway and was confirmed by X-ray diffraction. The homocoupled mol-ecule is formed by two chemically identical moieties built up from two five- and six-membered fused rings. The supra-molecular assembly is controlled mainly by C—H?O inter-actions that lead to the formation of hydrogen-bonded chains of mol-ecules along the [001] direction, while weak dipolar inter-actions and van der Waals forces hold the chains together in the crystal structure.

机译：通过钯催化的均偶联反应合成的标题化合物C18H26O4的绝对构型，即（3aR，3'aR，7aS，7'aS）是根据合成途径确定的，并通过X-射线衍射。均相耦合的分子是由两个化学上相同的部分组成，该部分由两个五元和六元稠合环构成。超分子组装主要受C–H？O相互作用的控制，该相互作用导致沿[001]方向形成分子氢键的分子链，而弱的偶极相互作用和范德华力保持不变链在晶体结构中在一起。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第1期|共4页
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Macías M.A.; Pandolfi E.; Schapiro V.; Silveira G.P.; Vilela G.D.; Suescun L.;
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机译：晶体结构和绝对构型（3aR，3'aR，7as，7'as）-2,2,2'，2'-四甲基-3a，6,7,7a，3'a，6'，7'， 7'-八氢-4,4'-双[1,3-苯并二氧杂环戊烯]，由pd催化的均偶联反应得到
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机译：双（二异丙基氨基）亚磷酰基和二异丙基氨基亚膦基金属羰基配合物来自锰和羰基钴与双（二异丙基氨基）膦的反应：（pr（i2）N）2pmn2（CO）8H的X射线晶体结构

Crystal structure and absolute configuration of (3aR,3′aR,7aS,7′aS)-2,2,2′,2′-tetra-methyl-3a,6,7,7a,3′a,6′,7′,7′a-octa-hydro-4,4′-bi[1,3-benzodioxol-yl], obtained from a Pd-catalyzed homocoupling reaction

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