Information card for entry 2226814

Structure parameters

• Chemical name: Ethyl 4-hydroxy-2,6-diphenyl-1-[2-(piperidin-1-yl)acetyl]-1,2,5,6- tetrahydropyridine-3-carboxylate
• Formula: C27 H32 N2 O4
• Calculated formula: C27 H32 N2 O4
• SMILES: CCOC(=O)C1=C(C[C@@H](c2ccccc2)N([C@H]1c1ccccc1)C(=O)CN1CCCCC1)O.CCOC(=O)C1=C(C[C@H](c2ccccc2)N([C@@H]1c1ccccc1)C(=O)CN1CCCCC1)O
• Title of publication: Ethyl 4-hydroxy-2,6-diphenyl-1-[2-(piperidin-1-yl)acetyl]-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Aridoss, G.; Sundaramoorthy, S.; Velmurugan, D.; Park, K. S.; Jeong, Y. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2005
• a: 10.7936 ± 0.0006 Å
• b: 9.6752 ± 0.0006 Å
• c: 23.2335 ± 0.0013 Å
• α: 90°
• β: 93.213 ± 0.003°
• γ: 90°
• Cell volume: 2422.5 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes