Information card for entry 2224330

Structure parameters

• Chemical name: Ethyl 4-hydroxy-1-(2-morpholinopropanoyl)-2,6-diphenyl- 1,2,5,6-tetrahydropyridin-3-carboxylate
• Formula: C27 H32 N2 O5
• Calculated formula: C27 H32 N2 O5
• SMILES: O=C(N1[C@H](CC(=C([C@H]1c1ccccc1)C(=O)OCC)O)c1ccccc1)[C@@H](N1CCOCC1)C.O=C(N1[C@@H](CC(=C([C@@H]1c1ccccc1)C(=O)OCC)O)c1ccccc1)[C@H](N1CCOCC1)C
• Title of publication: Ethyl 4-hydroxy-1-(2-morpholinopropanoyl)-2,6-diphenyl-1,2,5,6-tetrahydropyridin-3-carboxylate
• Authors of publication: Aridoss, G.; Gayathri, D.; Ramachandran, R.; Lim, Kwon Taek; Jeong, Yeon Tae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3232 - o3233
• a: 8.2251 ± 0.0002 Å
• b: 10.6219 ± 0.0004 Å
• c: 28.7046 ± 0.001 Å
• α: 90°
• β: 92.375 ± 0.002°
• γ: 90°
• Cell volume: 2505.66 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0794
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes