Information card for entry 2234185

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dimethyl-4-[(<i>E</i>)-2-(3,6,7-tribromo-9-butyl-9<i>H</i>- carbazol-2-yl)ethenyl]aniline
• Formula: C26 H25 Br3 N2
• Calculated formula: C26 H25 Br3 N2
• SMILES: Brc1cc2n(CCCC)c3c(c2cc1Br)cc(Br)c(c3)/C=C/c1ccc(N(C)C)cc1
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-4-[(<i>E</i>)-2-(3,6,7-tribromo-9-butyl-9<i>H</i>-carbazol-2-yl)ethenyl]aniline
• Authors of publication: Kumar, Sushil; Thomas, K. R. Justin; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1121
• a: 9.7304 ± 0.0003 Å
• b: 11.3834 ± 0.0004 Å
• c: 11.8197 ± 0.0004 Å
• α: 114.308 ± 0.003°
• β: 101.957 ± 0.003°
• γ: 90.127 ± 0.003°
• Cell volume: 1161.62 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes