Information card for entry 2222549

Structure parameters

• Chemical name: Dimethyl (1-hydroxy-1,2-diphenylethyl)phosphonate
• Formula: C16 H19 O4 P
• Calculated formula: C16 H19 O4 P
• SMILES: P(=O)(OC)(OC)C(O)(c1ccccc1)Cc1ccccc1
• Title of publication: Dimethyl (1-hydroxy-1,2-diphenylethyl)phosphonate
• Authors of publication: Tahir, M. Nawaz; Acar, Nurcan; Yilmaz, Hamza; Tariq, Riaz H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2051
• a: 8.4767 ± 0.0005 Å
• b: 15.8978 ± 0.001 Å
• c: 13.3888 ± 0.0007 Å
• α: 90°
• β: 119.397 ± 0.003°
• γ: 90°
• Cell volume: 1571.97 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No