Information card for entry 7130833

Structure parameters

• Formula: C31 H32 N O3 P
• Calculated formula: C31 H32 N O3 P
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)[C@@H](c1ccc(cc1)OC)c1c2ccccc2[nH]c1C.C(C)O
• Title of publication: Catalytic enantioselective hydrophosphinylation of <i>in situ</i>-generated indole-derived vinylogous imines to access 3-(1-diphenylphosphoryl-arylmethyl)indoles.
• Authors of publication: Jia, Yun-Qing; Zhao, Jian-Qiang; Wang, Zhen-Hua; You, Yong; Zhang, Yan-Ping; Jin, Xin; Zhou, Ming-Qiang; Ge, Zhen-Zhen; Yuan, Wei-Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 86
• Pages of publication: 12062 - 12065
• a: 10.45953 ± 0.00019 Å
• b: 13.5092 ± 0.0003 Å
• c: 19.3396 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2732.68 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No