Information card for entry 4320595

Structure parameters

• Formula: C19 H15 O P
• Calculated formula: C19 H15 O P
• SMILES: P(c1ccccc1C=O)(c1ccccc1)c1ccccc1
• Title of publication: Coordination of Carbonyl and Carboxyl Oxygen Atoms with Phosphorus in the Presence of Hydrogen Bonding. P-O Donor Action
• Authors of publication: A. Chandrasekaran; Roberta O. Day; Robert R. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6229 - 6238
• a: 8.5843 ± 0.0002 Å
• b: 10.1422 ± 0.0002 Å
• c: 10.6614 ± 0.0003 Å
• α: 107.198 ± 0.0011°
• β: 105.926 ± 0.0013°
• γ: 107.949 ± 0.0012°
• Cell volume: 772.33 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No