Information card for entry 2219287

Structure parameters

• Chemical name: 3-Ethyl 5-methyl 2-hydroxy-6-methyl-4-(4-nitrophenyl)-2-trifluoromethyl- 1,2,3,4-tetrahydropyridine-3,5-dicarboxylate
• Formula: C18 H19 F3 N2 O7
• Calculated formula: C18 H19 F3 N2 O7
• Title of publication: 3-Ethyl 5-methyl 2-hydroxy-6-methyl-4-(4-nitrophenyl)-2-trifluoromethyl-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate
• Authors of publication: Yu, Chen-Xia; Qian, Pei-Li; Ping, Jia-Jing; Yao, Chang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1737
• a: 28.678 ± 0.006 Å
• b: 9.6678 ± 0.0019 Å
• c: 14.12 ± 0.003 Å
• α: 90°
• β: 95.72 ± 0.03°
• γ: 90°
• Cell volume: 3895.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes