Information card for entry 2237801

Structure parameters

• Chemical name: Ethyl 4-anilino-2,6-bis(4-chlorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
• Formula: C32 H28 Cl2 N2 O2
• Calculated formula: C32 H28 Cl2 N2 O2
• SMILES: Clc1ccc([C@H]2N([C@@H](C(=C(Nc3ccccc3)C2)C(=O)OCC)c2ccc(Cl)cc2)c2ccccc2)cc1.Clc1ccc([C@@H]2N([C@H](C(=C(Nc3ccccc3)C2)C(=O)OCC)c2ccc(Cl)cc2)c2ccccc2)cc1
• Title of publication: Ethyl 4-anilino-2,6-bis(4-chlorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Yu, Jianfeng; Tang, Shiming; Zeng, Jingbin; Yan, Zifeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o947 - o948
• a: 9.559 ± 0.004 Å
• b: 9.656 ± 0.003 Å
• c: 16.392 ± 0.006 Å
• α: 78.584 ± 0.006°
• β: 82.056 ± 0.006°
• γ: 68.39 ± 0.006°
• Cell volume: 1375.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.3104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes