Information card for entry 2239448

Structure parameters

• Chemical name: 9-(4-Bromophenyl)-9<i>H</i>-carbazole
• Formula: C18 H12 Br N
• Calculated formula: C18 H12 Br N
• SMILES: Brc1ccc(cc1)n1c2ccccc2c2c1cccc2
• Title of publication: 9-(4-Bromophenyl)-9<i>H</i>-carbazole
• Authors of publication: Kautny, Paul; Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o330 - o331
• a: 8.4137 ± 0.0003 Å
• b: 20.1179 ± 0.0007 Å
• c: 8.6346 ± 0.0003 Å
• α: 90°
• β: 108.532 ± 0.0014°
• γ: 90°
• Cell volume: 1385.76 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0395
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes