Information card for entry 2017833

Structure parameters

• Chemical name: 1,3,4-Triphenyl-7-(trifluoromethyl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline
• Formula: C29 H18 F3 N3
• Calculated formula: C29 H18 F3 N3
• Title of publication: 1,3,4-Triphenyl-7-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline at 293 and 100K
• Authors of publication: Szlachcic, Paweł; Jarosz, Bożena; Stadnicka, Katarzyna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o488 - o492
• a: 23.0675 ± 0.0003 Å
• b: 23.0675 ± 0.0003 Å
• c: 21.716 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10007.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes