Information card for entry 2016733

Structure parameters

• Chemical name: 6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole
• Formula: C16 H16 Br N
• Calculated formula: C16 H16 Br N
• SMILES: c1(ccc(c2c3cc(Br)ccc3n(c12)CC)C)C
• Title of publication: 9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-carbazole and 6-bromo-9-ethyl-1,4-dimethyl-9<i>H</i>-carbazole
• Authors of publication: Sopková-de Oliveira Santos, Jana; Caruso, Anna; Lohier, Jean-François; Lancelot, Jean-Charles; Rault, Sylvain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o453 - o455
• a: 15.321 ± 0.0014 Å
• b: 4.6518 ± 0.0005 Å
• c: 18.6647 ± 0.0017 Å
• α: 90°
• β: 94.239 ± 0.005°
• γ: 90°
• Cell volume: 1326.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes