Information card for entry 2225879

Structure parameters

• Chemical name: Ethyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
• Formula: C20 H20 O3
• Calculated formula: C20 H20 O3
• SMILES: C1(=O)[C@@H]([C@H]([C@@H](C1)c1ccccc1)c1ccccc1)C(=O)OCC.C1(=O)[C@H]([C@@H]([C@H](C1)c1ccccc1)c1ccccc1)C(=O)OCC
• Title of publication: Ethyl 5-oxo-2,3-diphenylcyclopentane-1-carboxylate
• Authors of publication: Lamb, Claude N.; Assefa, Zerihun; Sykora, Richard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1183
• a: 27.4961 ± 0.0013 Å
• b: 7.4008 ± 0.0002 Å
• c: 18.7063 ± 0.001 Å
• α: 90°
• β: 115.389 ± 0.006°
• γ: 90°
• Cell volume: 3439 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Cell measurement pressure: 101.3 kPa
• Number of distinct elements: 3
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes