Information card for entry 2226408

Structure parameters

• Common name: benzyl(methyl)phosphinic acid
• Chemical name: Benzyl(methyl)phosphinic acid
• Formula: C8 H11 O2 P
• Calculated formula: C8 H11 O2 P
• SMILES: P(=O)(C)(O)Cc1ccccc1
• Title of publication: Benzyl(methyl)phosphinic acid
• Authors of publication: Fougère, Cécile; Guénin, Erwann; Retailleau, Pascal; Barbey, Carole
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1786
• a: 9.3075 ± 0.0004 Å
• b: 8.2526 ± 0.0004 Å
• c: 11.889 ± 0.0004 Å
• α: 90°
• β: 108.657 ± 0.003°
• γ: 90°
• Cell volume: 865.22 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes