Information card for entry 2220898

Structure parameters

• Chemical name: 3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole
• Formula: C19 H12 Br2 Cl N
• Calculated formula: C19 H12 Br2 Cl N
• SMILES: Brc1ccc2n(c3c(c2c1)cc(Br)cc3)Cc1ccc(Cl)cc1
• Title of publication: 3,6-Dibromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole
• Authors of publication: Cui, Jian-lan; Duan, Mei; Cai, Liu-qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o215
• a: 8.7673 ± 0.0018 Å
• b: 16.732 ± 0.003 Å
• c: 21.574 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3164.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes