Information card for entry 2222291

Structure parameters

• Chemical name: 3-Bromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole
• Formula: C19 H13 Br Cl N
• Calculated formula: C19 H13 Br Cl N
• SMILES: Brc1cc2c3c(n(c2cc1)Cc1ccc(Cl)cc1)cccc3
• Title of publication: 3-Bromo-9-(4-chlorobenzyl)-9<i>H</i>-carbazole
• Authors of publication: Xiao, Zi-Dan; Pan, Tong; Yang, Dao-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1476
• a: 17.272 ± 0.004 Å
• b: 15.789 ± 0.003 Å
• c: 5.5948 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1525.7 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes