Information card for entry 2236045

Structure parameters

• Chemical name: Methyl 2,6-diphenyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolylamino)-1,2,5,6- tetrahydropyridine-3-carboxylate
• Formula: C33 H32 N2 O2
• Calculated formula: C33 H32 N2 O2
• SMILES: O=C(OC)C1=C(Nc2ccc(cc2)C)C[C@H](N([C@@H]1c1ccccc1)c1ccc(cc1)C)c1ccccc1.O=C(OC)C1=C(Nc2ccc(cc2)C)C[C@@H](N([C@H]1c1ccccc1)c1ccc(cc1)C)c1ccccc1
• Title of publication: Methyl 2,6-diphenyl-1-<i>p</i>-tolyl-4-(<i>p</i>-tolylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Venugopala, K. N.; Nayak, Susanta K.; Odhav, Bharti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2392 - o2393
• a: 13.3701 ± 0.0011 Å
• b: 6.1744 ± 0.0005 Å
• c: 31.797 ± 0.002 Å
• α: 90°
• β: 90.381 ± 0.002°
• γ: 90°
• Cell volume: 2624.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes