Information card for entry 2221098

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: Acar, Nurcan; Tahir, M. Nawaz; Yılmaz, Hamza; Chishti, Muhammad Saeed Ahmad; Malik, Muhammad Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o481
• a: 6.0671 ± 0.0012 Å
• b: 17.0962 ± 0.0011 Å
• c: 15.0502 ± 0.0012 Å
• α: 90°
• β: 95.0021 ± 0.0011°
• γ: 90°
• Cell volume: 1555.1 ± 0.3 ų
• Cell temperature: 296 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: 0.125
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes