Information card for entry 2227031

Structure parameters

• Chemical name: <i>tert</i>-Butyl 6-bromo-1,4-dimethyl-9<i>H</i>-carbazole-9-carboxylate
• Formula: C19 H20 Br N O2
• Calculated formula: C19 H20 Br N O2
• SMILES: c1(ccc(c2c3cc(ccc3n(c12)C(=O)OC(C)(C)C)Br)C)C
• Title of publication: <i>tert</i>-Butyl 6-bromo-1,4-dimethyl-9<i>H</i>-carbazole-9-carboxylate
• Authors of publication: Lohier, Jean-François; Caruso, Anna; Sopková-de Oliveira Santos, Jana; Lancelot, Jean-Charles; Rault, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1971 - o1972
• a: 7.521 ± 0.004 Å
• b: 9.715 ± 0.005 Å
• c: 11.93 ± 0.006 Å
• α: 91.1 ± 0.04°
• β: 96.4 ± 0.04°
• γ: 90.96 ± 0.04°
• Cell volume: 865.9 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes