Information card for entry 2016732

Structure parameters

• Chemical name: 9-Ethyl-1,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 9<i>H</i>-carbazole
• Formula: C22 H28 B N O2
• Calculated formula: C22 H28 B N O2
• SMILES: c1(ccc2n(c3c(ccc(c3c2c1)C)C)CC)B1OC(C(O1)(C)C)(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: 8.6357 ± 0.0003 Å
• b: 8.1068 ± 0.0003 Å
• c: 28.2057 ± 0.0009 Å
• α: 90°
• β: 96.673 ± 0.002°
• γ: 90°
• Cell volume: 1961.24 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes