Information card for entry 2011243

Structure parameters

• Chemical name: (2-Hydroxy-4-methylphenyl)bis(4-methylphenyl)phosphine Oxide
• Formula: C19 H17 O2 P
• Calculated formula: C19 H17 O2 P
• SMILES: P(=O)(c1c(O)ccc(c1)C)(c1ccccc1)c1ccccc1
• Title of publication: (2-Hydroxy-5-methylphenyl)diphenylphosphine oxide
• Authors of publication: Bélanger-Gariépy, Francine; Dartiguenave, Michèle; Loiseau, Frédérique; Beauchamp, André L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: e338 - e339
• a: 10.73 ± 0.002 Å
• b: 9.659 ± 0.002 Å
• c: 15.287 ± 0.003 Å
• α: 90°
• β: 92.49 ± 0.02°
• γ: 90°
• Cell volume: 1582.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No