Information card for entry 2207856

Structure parameters

• Chemical name: 9-Allyl-3,6-dibromo-9H-carbazole
• Formula: C15 H11 Br2 N
• Calculated formula: C15 H11 Br2 N
• SMILES: Brc1cc2c(n(c3ccc(Br)cc23)CC=C)cc1
• Title of publication: 9-Allyl-3,6-dibromo-9<i>H</i>-carbazole
• Authors of publication: Cui Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o198 - o199
• a: 8.6763 ± 0.0012 Å
• b: 10.6439 ± 0.0015 Å
• c: 15.7934 ± 0.0018 Å
• α: 90°
• β: 110.803 ± 0.006°
• γ: 90°
• Cell volume: 1363.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes