Information card for entry 2230196

Structure parameters

• Chemical name: Benzyl(phenyl)phosphinic acid
• Formula: C13 H13 O2 P
• Calculated formula: C13 H13 O2 P
• SMILES: c1(ccccc1)P(=O)(Cc1ccccc1)O
• Title of publication: Benzyl(phenyl)phosphinic acid
• Authors of publication: Burrow, Robert A.; Siqueira da Silva, Rubia M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1045
• a: 5.7326 ± 0.0002 Å
• b: 12.343 ± 0.0003 Å
• c: 16.7794 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.27 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes