Information card for entry 4320593

Structure parameters

• Formula: C19 H15 O3 P
• Calculated formula: C19 H15 O3 P
• SMILES: P(=O)(c1c(C(O)=O)cccc1)(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: 26.1056 ± 0.0006 Å
• b: 8.5047 ± 0.0003 Å
• c: 19.1412 ± 0.0006 Å
• α: 90°
• β: 131.457 ± 0.0014°
• γ: 90°
• Cell volume: 3184.98 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.503
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No