Information card for entry 2237292

Structure parameters

• Chemical name: Ethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate
• Formula: C32 H28 F2 N2 O2
• Calculated formula: C32 H28 F2 N2 O2
• SMILES: O=C(OCC)C1=C(Nc2ccccc2)C[C@H](N([C@@H]1c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1.O=C(OCC)C1=C(Nc2ccccc2)C[C@@H](N([C@H]1c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1
• Title of publication: Ethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-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: 2
• Pages of publication: o299 - o300
• a: 10.0432 ± 0.0004 Å
• b: 10.4646 ± 0.0004 Å
• c: 13.9932 ± 0.0006 Å
• α: 105.422 ± 0.004°
• β: 105.982 ± 0.004°
• γ: 96.407 ± 0.004°
• Cell volume: 1335.53 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes