Information card for entry 2227694

Structure parameters

• Chemical name: Ethyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate
• Formula: C22 H27 N O6
• Calculated formula: C22 H27 N O6
• SMILES: COc1c(OC)cc(cc1OC)C1C2=C(NC(=C1C(=O)OCC)C)CCCC2=O
• Title of publication: Ethyl 2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Authors of publication: Natarajan, S.; Indumathi, P.; Reddy, B. Palakshi; Vijayakumar, V.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2240
• a: 7.512 ± 0.002 Å
• b: 10.402 ± 0.001 Å
• c: 14.568 ± 0.003 Å
• α: 109.77 ± 0.03°
• β: 95.42 ± 0.01°
• γ: 104.41 ± 0.02°
• Cell volume: 1017.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes