Information card for entry 2229151

Structure parameters

• Chemical name: Ethyl 1-formamido-4-oxo-2,6-diphenylcyclohexanecarboxylate
• Formula: C22 H23 N O4
• Calculated formula: C22 H23 N O4
• SMILES: O=C(OCC)C1(NC=O)[C@@H](c2ccccc2)CC(=O)C[C@@H]1c1ccccc1.O=C(OCC)C1(NC=O)[C@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1
• Title of publication: Ethyl 1-formamido-4-oxo-2,6-diphenylcyclohexanecarboxylate
• Authors of publication: Zhang, Dawei; Xu, Xianxiu; Liu, Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o401
• a: 11.324 ± 0.0012 Å
• b: 13.51 ± 0.0015 Å
• c: 12.587 ± 0.0014 Å
• α: 90°
• β: 99.149 ± 0.002°
• γ: 90°
• Cell volume: 1901.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes