Information card for entry 2217346

Structure parameters

• Chemical name: 1-Phenyl-2-trifluoromethyl-4-quinolone
• Formula: C16 H10 F3 N O
• Calculated formula: C16 H10 F3 N O
• SMILES: FC(F)(F)c1n(c2c(c(=O)c1)cccc2)c1ccccc1
• Title of publication: 1-Phenyl-2-trifluoromethyl-4-quinolone
• Authors of publication: Hossaini Sadr, Moayad; Usachev, Boris I.; Shan, Gao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o180 - o180
• a: 8.7403 ± 0.0005 Å
• b: 17.574 ± 0.001 Å
• c: 8.7559 ± 0.0006 Å
• α: 90°
• β: 103.931 ± 0.002°
• γ: 90°
• Cell volume: 1305.36 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes