Information card for entry 2242378

Structure parameters

• Chemical name: (<i>E</i>)-1,2-Bis(6-bromo-9-hexyl-9<i>H</i>-carbazol-3-yl)ethene
• Formula: C38 H40 Br2 N2
• Calculated formula: C38 H40 Br2 N2
• SMILES: Brc1cc2c3c(n(CCCCCC)c2cc1)ccc(c3)/C=C/c1cc2c(n(CCCCCC)c3ccc(Br)cc23)cc1
• Title of publication: Crystal structure of (<i>E</i>)-1,2-bis(6-bromo-9-hexyl-9<i>H</i>-carbazol-3-yl)ethene
• Authors of publication: Feng, Ying; Guo, Wei; Liu, Zhi; Luo, Xinyu; Zhang, Dingchao; Li, Li; Cui, Deliang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 337 - 340
• a: 8.5553 ± 0.0012 Å
• b: 11.4379 ± 0.0016 Å
• c: 17.333 ± 0.002 Å
• α: 101.247 ± 0.002°
• β: 98.392 ± 0.001°
• γ: 104.99 ± 0.002°
• Cell volume: 1572 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes