Information card for entry 2213462

Structure parameters

• Chemical name: 8-tert-Butyl-7,10-diphenyl-6,10-dihydro-5H-benzo[h]pyrazolo[3,4-b]quinoline
• Formula: C30 H27 N3
• Calculated formula: C30 H27 N3
• SMILES: c1cccc2CCc3c(c4ccccc4)c4c(C(C)(C)C)nn(c5ccccc5)c4nc3c12
• Title of publication: 8-<i>tert</i>-Butyl-7,10-diphenyl-6,10-dihydro-5<i>H</i>-benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinoline
• Authors of publication: Low, John N.; Cobo, Justo; Portilla, Jaime; Quiroga, Jairo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2690 - o2691
• a: 9.516 ± 0.002 Å
• b: 10.406 ± 0.003 Å
• c: 11.868 ± 0.005 Å
• α: 99.52 ± 0.04°
• β: 100.42 ± 0.02°
• γ: 91.55 ± 0.04°
• Cell volume: 1137.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• 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: 0.1466
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2382
• 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