Information card for entry 1519514

Structure parameters

• Formula: C23 H23 O3 P
• Calculated formula: C23 H23 O3 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)[C@@H](c1ccccc1)CC(=O)OCC
• Title of publication: Ethyl 3-(diphenylphosphinoyl)-3-phenylpropionate
• Authors of publication: Hancock, P.; Hursthouse, Michael B.; Murphy, P. J.; Light, Mark E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 39
• a: 5.788 ± 0.005 Å
• b: 17.499 ± 0.005 Å
• c: 19.463 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1971.3 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No