Information card for entry 8105529

Structure parameters

• Formula: C18 H18 N2 O6
• Calculated formula: C18 H18 N2 O6
• Title of publication: Crystal structure of methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H18N2O6
• Authors of publication: Gou, Wei; Peng, Ling; Li, Bo; Yang, Qinghua; Cao, Lewei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 29 - 30
• a: 7.4809 ± 0.0014 Å
• b: 13.082 ± 0.002 Å
• c: 16.87 ± 0.003 Å
• α: 90°
• β: 93.44 ± 0.004°
• γ: 90°
• Cell volume: 1648 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No