Information card for entry 2239763

Structure parameters

• Chemical name: Isopropyl 1-benzoyl-4-benzoyloxy-2,6-diphenyl-1,2,3,6-tetrahydropyridine-3-carboxylate
• Formula: C35 H31 N O5
• Calculated formula: C35 H31 N O5
• SMILES: c1ccccc1[C@H]1CC(=C([C@@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)OC(C)C)OC(=O)c1ccccc1.c1ccccc1[C@@H]1CC(=C([C@H](c2ccccc2)N1C(=O)c1ccccc1)C(=O)OC(C)C)OC(=O)c1ccccc1
• Title of publication: Isopropyl 1-benzoyl-4-benzoyloxy-2,6-diphenyl-1,2,3,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Govindan, E.; Murugavel, K.; Amirthaganesan, S.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o854
• a: 10.1788 ± 0.0006 Å
• b: 11.4325 ± 0.0007 Å
• c: 13.1395 ± 0.0009 Å
• α: 81.847 ± 0.002°
• β: 86.662 ± 0.003°
• γ: 69.654 ± 0.002°
• Cell volume: 1419.08 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes