Information card for entry 2219786

Structure parameters

• Chemical name: 4-(Diphenylphosphinoyl)benzoic acid
• Formula: C19 H15 O3 P
• Calculated formula: C19 H15 O3 P
• SMILES: c1(ccc(cc1)C(=O)O)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: 4-(Diphenylphosphinoyl)benzoic acid
• Authors of publication: Li, Yuan-Jing; Zhang, Rong-Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2074
• a: 18.018 ± 0.003 Å
• b: 10.0921 ± 0.0018 Å
• c: 18.028 ± 0.004 Å
• α: 90°
• β: 91.467 ± 0.004°
• γ: 90°
• Cell volume: 3277.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes