Information card for entry 2219904

Structure parameters

• Chemical name: 2,7-Dibromo-9-octyl-9<i>H</i>-carbazole
• Formula: C20 H23 Br2 N
• Calculated formula: C20 H23 Br2 N
• SMILES: Brc1cc2c(cc1)c1ccc(Br)cc1n2CCCCCCCC
• Title of publication: 2,7-Dibromo-9-octyl-9<i>H</i>-carbazole
• Authors of publication: Gagnon, Eric; Laliberté, Dominic
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2147
• a: 20.7256 ± 0.0004 Å
• b: 4.6578 ± 0.0001 Å
• c: 19.7236 ± 0.0004 Å
• α: 90°
• β: 95.945 ± 0.001°
• γ: 90°
• Cell volume: 1893.79 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0311
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes