Information card for entry 2235114

Structure parameters

• Chemical name: 2-[(Diphenylphosphoryl)(hydroxy)methyl]-5-methoxyphenol
• Formula: C20 H19 O4 P
• Calculated formula: C20 H19 O4 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C(O)c1c(O)cc(OC)cc1
• Title of publication: 2-[(Diphenylphosphoryl)(hydroxy)methyl]-5-methoxyphenol
• Authors of publication: Shao, Yutian; Yang, Chao; Xia, Wujiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1708
• a: 8.349 ± 0.007 Å
• b: 17.406 ± 0.014 Å
• c: 12.639 ± 0.01 Å
• α: 90°
• β: 107.863 ± 0.009°
• γ: 90°
• Cell volume: 1748 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes