Information card for entry 2217395

Structure parameters

• Chemical name: 4-[3-(Trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-3(2<i>H</i>)-one
• Formula: C15 H13 F3 N2 O
• Calculated formula: C15 H13 F3 N2 O
• Title of publication: 4-[3-(Trifluoromethyl)phenyl]-5,6,7,8-tetrahydrocinnolin-3(2<i>H</i>)-one
• Authors of publication: Xin Wang; Xiao-Mao Zou; You-Quan Zhu; Hu-Xu Hong; Hua-Zheng Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o464 - o464
• a: 8.929 ± 0.003 Å
• b: 11.443 ± 0.004 Å
• c: 27.448 ± 0.008 Å
• α: 90°
• β: 94.232 ± 0.006°
• γ: 90°
• Cell volume: 2796.8 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1627
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes