Information card for entry 2220912

Structure parameters

• Chemical name: 3,6-Dibromo-9-(4-bromobenzyl)-9<i>H</i>-carbazole
• Formula: C19 H12 Br3 N
• Calculated formula: C19 H12 Br3 N
• SMILES: Brc1ccc(cc1)Cn1c2ccc(cc2c2c1ccc(c2)Br)Br
• Title of publication: 3,6-Dibromo-9-(4-bromobenzyl)-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: o216
• a: 9.4784 ± 0.0019 Å
• b: 17.132 ± 0.003 Å
• c: 20.456 ± 0.004 Å
• α: 90°
• β: 98.16 ± 0.03°
• γ: 90°
• Cell volume: 3288.1 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes