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Information card for entry 2242378
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| Coordinates | 2242378.cif |
|---|---|
| Structure factors | 2242378.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206429 (current) | 2018-02-14 | cif/ hkl/ Adding structures of 2242378 via cif-deposit CGI script. |
2242378.cif 2242378.hkl |
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Users of the data should acknowledge the original authors of the
structural data.