Information card for entry 2231372

Structure parameters

• Chemical name: Methyl(phenyl)phosphinic acid
• Formula: C7 H9 O2 P
• Calculated formula: C7 H9 O2 P
• SMILES: P(=O)(O)(C)c1ccccc1
• Title of publication: Methyl(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: 8
• Pages of publication: o2005
• a: 12.4231 ± 0.0008 Å
• b: 7.8464 ± 0.0005 Å
• c: 15.9801 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.69 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes