Information card for entry 1503057

Structure parameters

• Formula: C20 H19 O3 P
• Calculated formula: C20 H19 O3 P
• SMILES: P(=O)(c1c(OC)cccc1)(c1c(OC)cccc1)c1ccccc1
• Title of publication: Photooxidation of mixed aryl and biarylphosphines.
• Authors of publication: Zhang, Dong; Celaje, Jeff A.; Agua, Alon; Doan, Chad; Stewart, Timothy; Bau, Robert; Selke, Matthias
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 3100 - 3103
• a: 9.336 ± 0.002 Å
• b: 12.036 ± 0.003 Å
• c: 15.354 ± 0.004 Å
• α: 90°
• β: 101.625 ± 0.004°
• γ: 90°
• Cell volume: 1689.9 ± 0.7 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No