Information card for entry 2212110

Structure parameters

• Chemical name: (Diphenylphosphoryl)(4-nitrophenyl)methanol
• Formula: C19 H16 N O4 P
• Calculated formula: C19 H16 N O4 P
• SMILES: P(=O)(C(O)c1ccc(N(=O)=O)cc1)(c1ccccc1)c1ccccc1
• Title of publication: (Diphenylphosphoryl)(4-nitrophenyl)methanol
• Authors of publication: Liu, Wan-Yun; Huo, Ping; Gao, Yu-Xing; Liu, Peng; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1008 - o1009
• a: 11.449 ± 0.003 Å
• b: 6.1417 ± 0.0015 Å
• c: 23.624 ± 0.006 Å
• α: 90°
• β: 94.409 ± 0.005°
• γ: 90°
• Cell volume: 1656.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.048
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes