Information card for entry 2237591

Structure parameters

• Chemical name: Ethyl 2,6-bis(4-chlorophenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
• Formula: C32 H26 Cl2 F2 N2 O2
• Calculated formula: C32 H26 Cl2 F2 N2 O2
• SMILES: Clc1ccc([C@@H]2N([C@H](C(=C(Nc3ccc(F)cc3)C2)C(=O)OCC)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1.Clc1ccc([C@H]2N([C@@H](C(=C(Nc3ccc(F)cc3)C2)C(=O)OCC)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1
• Title of publication: Ethyl 2,6-bis(4-chlorophenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Anthal, Sumati; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o506 - o507
• a: 10.3074 ± 0.0007 Å
• b: 10.7942 ± 0.0005 Å
• c: 13.9432 ± 0.001 Å
• α: 103.554 ± 0.005°
• β: 106.487 ± 0.006°
• γ: 96.846 ± 0.005°
• Cell volume: 1417.12 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1596
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes