Information card for entry 2234377

Structure parameters

• Chemical name: 9-(4-Bromobutyl)-9<i>H</i>-carbazole
• Formula: C16 H16 Br N
• Calculated formula: C16 H16 Br N
• SMILES: BrCCCCn1c2ccccc2c2ccccc12
• Title of publication: 9-(4-Bromobutyl)-9<i>H</i>-carbazole
• Authors of publication: Wang, Qing-Peng; Chang, Juan-Juan; Zhang, Hui-Zhen; Lv, Jing-Song; Zhou, Cheng-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1112
• a: 7.696 ± 0.003 Å
• b: 22.658 ± 0.008 Å
• c: 16.03 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2795.2 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1193
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes