Information card for entry 2208564

Structure parameters

• Chemical name: 9-[4-(4-Bromostyryl)phenyl]-9H-carbazole
• Formula: C26 H18 Br N
• Calculated formula: C26 H18 Br N
• SMILES: Brc1ccc(/C=C\c2ccc(n3c4ccccc4c4ccccc34)cc2)cc1
• Title of publication: 9-[4-(4-Bromostyryl)phenyl]-9<i>H</i>-carbazole
• Authors of publication: Li, Lin; Kong, Lin; Zhu, Chen-Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1245 - o1247
• a: 9.323 ± 0.002 Å
• b: 13.051 ± 0.003 Å
• c: 17.241 ± 0.004 Å
• α: 90°
• β: 104.035 ± 0.003°
• γ: 90°
• Cell volume: 2035.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes