Information card for entry 2208458

Structure parameters

• Chemical name: (3,6-Dibromo-9H-carbazol-9-yl)(phenyl)methanone
• Formula: C19 H11 Br2 N O
• Calculated formula: C19 H11 Br2 N O
• SMILES: Brc1ccc2n(c3c(c2c1)cc(Br)cc3)C(=O)c1ccccc1
• Title of publication: (3,6-Dibromo-9<i>H</i>-carbazol-9-yl)(phenyl)methanone
• Authors of publication: Duan, Xue-Min; Huang, Peng-Mian; Li, Jiang-Sheng; Zheng, Peng-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o995 - o996
• a: 7.398 ± 0.002 Å
• b: 11.223 ± 0.003 Å
• c: 11.431 ± 0.004 Å
• α: 61.384 ± 0.004°
• β: 80.036 ± 0.005°
• γ: 72.641 ± 0.005°
• Cell volume: 794.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No