Information card for entry 2225089

Structure parameters

• Chemical name: (2,4-Dichlorophenyl)(diphenylphosphoryl)methanol
• Formula: C19 H15 Cl2 O2 P
• Calculated formula: C19 H15 Cl2 O2 P
• SMILES: P(=O)(C(c1c(Cl)cc(Cl)cc1)O)(c1ccccc1)c1ccccc1
• Title of publication: (2,4-Dichlorophenyl)(diphenylphosphoryl)methanol
• Authors of publication: Liu, Wan-Yun; Huo, Ping; Huang, Tong-Lin; Mei, Guang-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o477
• a: 8.8157 ± 0.0018 Å
• b: 11.334 ± 0.002 Å
• c: 19.262 ± 0.004 Å
• α: 90°
• β: 102.41 ± 0.03°
• γ: 90°
• Cell volume: 1879.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes