Information card for entry 1503056

Structure parameters

• Formula: C20 H19 O4 P
• Calculated formula: C20 H19 O4 P
• SMILES: P(=O)(Oc1ccccc1OC)(c1ccccc1)c1ccccc1OC
• 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: 27.553 ± 0.018 Å
• b: 8.908 ± 0.006 Å
• c: 17.38 ± 0.012 Å
• α: 90°
• β: 125.364 ± 0.009°
• γ: 90°
• Cell volume: 3479 ± 4 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No