Information card for entry 7232200

Structure parameters

• Chemical name: ((5-chloro-1H-indol-3-yl)(4-chlorophenyl)methyl)diphenylphosphine oxide
• Formula: C27 H20 Cl2 N O P
• Calculated formula: C27 H20 Cl2 N O P
• Title of publication: Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions
• Authors of publication: Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 4
• Pages of publication: 792
• a: 9.594 ± 0.0002 Å
• b: 11.0586 ± 0.0003 Å
• c: 21.6374 ± 0.0005 Å
• α: 90°
• β: 93.293 ± 0.002°
• γ: 90°
• Cell volume: 2291.86 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No