Information card for entry 2206011

Structure parameters

• Chemical name: 11-(4-bromophenyl)-10-methyl-8-phenyl-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline
• Formula: C27 H20 Br N3
• Calculated formula: C27 H20 Br N3
• SMILES: Brc1ccc(c2c3c(nc4CCc5ccccc5c24)n(nc3C)c2ccccc2)cc1
• Title of publication: 11-(4-Bromophenyl)-10-methyl-8-phenyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinoline
• Authors of publication: Serrano, Hugo; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1702 - o1703
• a: 7.0237 ± 0.0003 Å
• b: 12.8964 ± 0.0007 Å
• c: 13.3517 ± 0.0007 Å
• α: 106.63 ± 0.003°
• β: 101.423 ± 0.003°
• γ: 102.274 ± 0.003°
• Cell volume: 1088.18 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes