Information card for entry 2011250

Structure parameters

• Chemical name: phenylphosphinic acid
• Formula: C6 H7 O2 P
• Calculated formula: C6 H7 O2 P
• SMILES: P(=O)(O)c1ccccc1
• Title of publication: Phenylphosphinic acid
• Authors of publication: Robert A. Burrow; David H. Farrar; Alan J. Lough; Márcia R. Siqueira; Fatima Squizani
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e357 - e358
• a: 7.6624 ± 0.0006 Å
• b: 5.5762 ± 0.0004 Å
• c: 15.2489 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 651.54 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes