Information card for entry 2237043

Structure parameters

• Common name: Rubia: RS087:PhPEtO2H
• Chemical name: <i>rac</i>-Ethyl(phenyl)phosphinic acid
• Formula: C8 H11 O2 P
• Calculated formula: C8 H11 O2 P
• SMILES: P(=O)(O)(CC)c1ccccc1
• Title of publication: <i>rac</i>-Ethyl(phenyl)phosphinic acid
• Authors of publication: Burrow, Robert A.; da Silva, Rubia M. Siqueira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3488
• a: 13.5314 ± 0.0016 Å
• b: 8.0328 ± 0.0009 Å
• c: 15.922 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes