Information card for entry 2229864

Structure parameters

• Chemical name: Bis(3,5-dimethoxyphenyl)phosphinic acid
• Formula: C16 H19 O6 P
• Calculated formula: C16 H19 O6 P
• SMILES: P(=O)(O)(c1cc(OC)cc(OC)c1)c1cc(OC)cc(OC)c1
• Title of publication: Bis(3,5-dimethoxyphenyl)phosphinic acid
• Authors of publication: Cheng, Wei; Feng, Zhi-Qiang; Tang, Jun-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o896
• a: 14.554 ± 0.003 Å
• b: 7.762 ± 0.0016 Å
• c: 14.634 ± 0.003 Å
• α: 90°
• β: 96.14 ± 0.03°
• γ: 90°
• Cell volume: 1643.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes