Information card for entry 2231526

Structure parameters

• Chemical name: 4-(diphenylphosphanyl)benzoic acid
• Formula: C19 H15 O2 P
• Calculated formula: C19 H15 O2 P
• SMILES: P(c1ccc(cc1)C(=O)O)(c1ccccc1)c1ccccc1
• Title of publication: 4-(Diphenylphosphanyl)benzoic acid
• Authors of publication: Zhao, Pei-Hua; Sun, Fu-Yu; Liu, Jun-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2454
• a: 7.885 ± 0.002 Å
• b: 28.629 ± 0.008 Å
• c: 7.066 ± 0.002 Å
• α: 90°
• β: 97.338 ± 0.004°
• γ: 90°
• Cell volume: 1582 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes