Information card for entry 2207722

Structure parameters

• Chemical name: 3,6-Dibromo-9-(3-pyridylmethyl)-9H-carbazole
• Formula: C18 H12 Br2 N2
• Calculated formula: C18 H12 Br2 N2
• SMILES: Brc1ccc2n(c3c(c2c1)cc(Br)cc3)Cc1cnccc1
• Title of publication: 3,6-Dibromo-9-(3-pyridylmethyl)-9<i>H</i>-carbazole
• Authors of publication: Duan, Xue-Min; Huang, Peng-Mian; Liu, Zi-Li; Li, Jiang-Sheng; Wang, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o114 - o115
• a: 10.469 ± 0.003 Å
• b: 16.405 ± 0.005 Å
• c: 9.866 ± 0.003 Å
• α: 90°
• β: 112.761 ± 0.004°
• γ: 90°
• Cell volume: 1562.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes