Information card for entry 2235334

Structure parameters

• Common name: 9-(4-bromobutyl)-9<i>H</i>-carbazole
• 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: Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1853
• a: 16.0949 ± 0.0004 Å
• b: 7.7012 ± 0.0002 Å
• c: 22.6874 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2812.1 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0732
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes