Information card for entry 8107582

Structure parameters

• Formula: C16 H12 F3 N O
• Calculated formula: C16 H12 F3 N O
• Title of publication: The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO
• Authors of publication: Pu, Xuewei; Meng, Fanjie; Zhang, Shaoliang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 857 - 859
• a: 6.9928 ± 0.0006 Å
• b: 8.9764 ± 0.0008 Å
• c: 21.216 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1331.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No