Information card for entry 2223480

Structure parameters

• Chemical name: (<i>RS</i>)-3-Acetyl-2-methyl-4-(3-nitrophenyl)-1,4,5,6,7,8- hexahydroquinolin-5-one
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• Title of publication: (<i>RS</i>)-3-Acetyl-2-methyl-4-(3-nitrophenyl)-1,4,5,6,7,8-hexahydroquinolin-5-one
• Authors of publication: Wang, Dong'e; Wang, Yu-zhou; Turhong, Muhtar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2561
• a: 8.5368 ± 0.0005 Å
• b: 17.0307 ± 0.0006 Å
• c: 11.4759 ± 0.0005 Å
• α: 90°
• β: 106.143 ± 0.001°
• γ: 90°
• Cell volume: 1602.67 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1208
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes