Information card for entry 7157537

Structure parameters

• Formula: C33 H37 Cl3 N O2 P
• Calculated formula: C33 H37 Cl3 N O2 P
• Title of publication: Manganese(iii)-promoted tandem phosphinoylation/cyclization of 2-arylindoles/2-arylbenzimidazoles with disubstituted phosphine oxides.
• Authors of publication: Jiang, Shuai-Shuai; Xiao, Yu-Ting; Wu, Yan-Chen; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4843 - 4847
• a: 10.546 ± 0.003 Å
• b: 12.611 ± 0.003 Å
• c: 12.642 ± 0.003 Å
• α: 109.078 ± 0.003°
• β: 94.549 ± 0.003°
• γ: 91.826 ± 0.003°
• Cell volume: 1581 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No