Information card for entry 7156427

Structure parameters

• Formula: C24 H17 Br N2 O3
• Calculated formula: C24 H17 Br N2 O3
• Title of publication: Ruthenium(ii)-catalyzed synthesis of indazolone-fused cinnolines via C-H coupling with diazo compounds.
• Authors of publication: Su, Lin; Yu, Zheng; Ren, Peiling; Luo, Zhi; Hou, Wei; Xu, Hongtao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 7236 - 7244
• a: 8.811 ± 0.003 Å
• b: 20.892 ± 0.008 Å
• c: 10.95 ± 0.004 Å
• α: 90°
• β: 105.717 ± 0.012°
• γ: 90°
• Cell volume: 1940.3 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No