Information card for entry 2012841

Structure parameters

• Chemical name: N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo- 1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
• Formula: C23 H29 N3 O4
• Calculated formula: C23 H29 N3 O4
• Title of publication: <i>N</i>,<i>N</i>-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
• Authors of publication: Linden, Anthony; Şafak, Cihat; Kismetlı, Emrah
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o436 - o438
• a: 28.2157 ± 0.0011 Å
• b: 28.2157 ± 0.0011 Å
• c: 14.2592 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9831.2 ± 0.6 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes