Information card for entry 7232201

Structure parameters

• Chemical name: (5-chloro-3-(1-phenylbutyl)-1H-indol-2-yl)diphenylphosphine oxide
• Formula: C30 H27 Cl N O P
• Calculated formula: C30 H27 Cl 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: 8.6081 ± 0.0001 Å
• b: 16.0745 ± 0.0002 Å
• c: 18.0657 ± 0.0002 Å
• α: 90°
• β: 99.465 ± 0.001°
• γ: 90°
• Cell volume: 2465.74 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0309
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No