Information card for entry 2225242

Structure parameters

• Chemical name: 6-Fluoro-1,3,4-triphenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline benzene hemisolvate
• Formula: C31 H21 F N3
• Calculated formula: C31 H21 F N3
• SMILES: c1ccccc1.Fc1ccc2c(c1)c(c1ccccc1)c1c(n2)n(nc1c1ccccc1)c1ccccc1
• Title of publication: 6-Fluoro-1,3,4-triphenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline benzene hemisolvate
• Authors of publication: Szlachcic, Paweł; Stadnicka, Katarzyna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o575
• a: 13.2941 ± 0.0004 Å
• b: 9.7419 ± 0.0003 Å
• c: 20.7608 ± 0.0005 Å
• α: 90°
• β: 118.559 ± 0.002°
• γ: 90°
• Cell volume: 2361.58 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 98.6 kPa
• Number of distinct elements: 4
• 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: 0.1257
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes