Information card for entry 2227737

Structure parameters

• Chemical name: Methyl 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Formula: C19 H21 N O4
• Calculated formula: C19 H21 N O4
• SMILES: N1C2=C(C(=O)CCC2)C(C(=C1C)C(=O)OC)c1ccc(OC)cc1
• Title of publication: Methyl 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Authors of publication: Yang, Xiao-Hui; Zhou, Yong-Hong; Zhang, Meng; Song, Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2767
• a: 13.628 ± 0.003 Å
• b: 8.63 ± 0.0017 Å
• c: 14.577 ± 0.003 Å
• α: 90°
• β: 98.39 ± 0.03°
• γ: 90°
• Cell volume: 1696 ± 0.6 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: 0.1817
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes