Information card for entry 2229416

Structure parameters

• Chemical name: Ethyl 1-benzoyl-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
• Formula: C27 H25 N O4
• Calculated formula: C27 H25 N O4
• SMILES: [C@@H]1(CC(=C([C@@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)OCC)O)c1ccccc1.[C@H]1(CC(=C([C@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)OCC)O)c1ccccc1
• Title of publication: Ethyl 1-benzoyl-4-hydroxy-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Aridoss, G.; Sundaramoorthy, S.; Velmurugan, D.; Jeong, Y. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o540
• a: 8.2784 ± 0.0007 Å
• b: 10.6116 ± 0.0009 Å
• c: 12.7572 ± 0.0011 Å
• α: 85.681 ± 0.004°
• β: 89.963 ± 0.004°
• γ: 82.508 ± 0.005°
• Cell volume: 1107.91 ± 0.16 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: 0.0592
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes