Information card for entry 2200830

Structure parameters

• Chemical name: (2-methoxyphenyl)phenylphosphine oxide
• Formula: C13 H13 O2 P
• Calculated formula: C13 H13 O2 P
• SMILES: P(=O)(c1c(OC)cccc1)c1ccccc1
• Title of publication: (2-Methoxyphenyl)phenylphosphine oxide
• Authors of publication: Wieczorek, Wanda; Kruszynski, Rafal; Skoweranda, J. Jolanta; Pietrusiewicz, K. Michał
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o229 - o231
• a: 8.576 ± 0.003 Å
• b: 8.804 ± 0.004 Å
• c: 15.921 ± 0.006 Å
• α: 90°
• β: 94.69 ± 0.03°
• γ: 90°
• Cell volume: 1198.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 1 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: 0.0441
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes