Information card for entry 2206847

Structure parameters

• Chemical name: Methyl 2-methyl-5-oxo-4-p-tolyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• SMILES: O=C1C2=C(NC(=C(C2c2ccc(cc2)C)C(=O)OC)C)CCC1
• Title of publication: Methyl 2-methyl-5-oxo-4-<i>p</i>-tolyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Authors of publication: Yu, Chen-Xia; Shi, Da-Qing; Yao, Chang-Sheng; Wang, Xiang-Shan; Zhuang, Qi-Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3224 - o3225
• a: 7.8338 ± 0.0015 Å
• b: 15.095 ± 0.003 Å
• c: 13.962 ± 0.003 Å
• α: 90°
• β: 105.436 ± 0.005°
• γ: 90°
• Cell volume: 1591.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes