Information card for entry 2227461

Structure parameters

• Chemical name: 3-Methyl-1,4-diphenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline
• Formula: C23 H17 N3
• Calculated formula: C23 H17 N3
• SMILES: n1(nc(c2c(c3ccccc3nc12)c1ccccc1)C)c1ccccc1
• Title of publication: 3-Methyl-1,4-diphenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]quinoline
• Authors of publication: Szlachcic, Paweł; Danel, Andrzej; Stadnicka, Katarzyna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3009
• a: 9.212 ± 0.0004 Å
• b: 9.9377 ± 0.0005 Å
• c: 10.344 ± 0.0004 Å
• α: 92.278 ± 0.002°
• β: 113.376 ± 0.002°
• γ: 90.152 ± 0.002°
• Cell volume: 868.37 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 98.6 kPa
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.1389
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections: 1.016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes