Information card for entry 2103072

Structure parameters

• Chemical name: 11-(4-methylphenyl)-10-methyl-8-phenyl-6,8-dihydro- 5H-benzo[f]pyrazolo[3,4-b]quinoline
• Formula: C28 H23 N3
• Calculated formula: C28 H23 N3
• Title of publication: Structural comparisons of isomeric series of 7-aryl-benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinolines and 11-aryl-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines
• Authors of publication: Portilla, Jaime; Quiroga, Jairo; Nogueras, Manuel; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: 72 - 83
• a: 11.1334 ± 0.0003 Å
• b: 11.4672 ± 0.0002 Å
• c: 17.627 ± 0.0004 Å
• α: 97.858 ± 0.002°
• β: 106.135 ± 0.003°
• γ: 97.496 ± 0.002°
• Cell volume: 2107.66 ± 0.09 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No