Information card for entry 2207590

Structure parameters

• Chemical name: 3,6-Dibromo-9-hexyl-9H-carbazole
• Formula: C18 H19 Br2 N
• Calculated formula: C18 H19 Br2 N
• SMILES: Brc1ccc2n(c3ccc(Br)cc3c2c1)CCCCCC
• Title of publication: 3,6-Dibromo-9-hexyl-9<i>H</i>-carbazole
• Authors of publication: Duan, Xue-Min; Huang, Peng-Mian; Li, Jiang-sheng; Zheng, Peng-Wu; Zeng, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o3977 - o3978
• a: 20.337 ± 0.003 Å
• b: 4.571 ± 0.0006 Å
• c: 18.456 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes