Information card for entry 2202056

Structure parameters

• Chemical name: Ethyl 5-ethoxymethylene-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3- carboxylate
• Formula: C18 H21 N O4
• Calculated formula: C18 H21 N O4
• SMILES: N1C(=O)/C(=C/OCC)C(c2ccccc2)C(=C1C)C(=O)OCC
• Title of publication: Ethyl 5-ethoxymethylene-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Salfrán, Esperanza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o230 - o231
• a: 22.652 ± 0.001 Å
• b: 10.5508 ± 0.0003 Å
• c: 15.7162 ± 0.0007 Å
• α: 90°
• β: 114.921 ± 0.004°
• γ: 90°
• Cell volume: 3406.4 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.2193
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes