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Information card for entry 2242689
Preview
| Coordinates | 2242689.cif |
|---|---|
| Structure factors | 2242689.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5,15-Dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate |
|---|---|
| Formula | C40.25 H45.26 N2 |
| Calculated formula | C40.253 H45.257 N2 |
| Title of publication | Crystal structure of 5,15-dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate |
| Authors of publication | Zhang, Dingchao; Shi, Longqiang; Liu, Zhi; Li, Li; Hu, Zhenhao; Cui, Deliang; Yang, Jing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| Pages of publication | 1605 - 1608 |
| a | 28.446 ± 0.003 Å |
| b | 8.2572 ± 0.0008 Å |
| c | 32.262 ± 0.003 Å |
| α | 90° |
| β | 120.602 ± 0.001° |
| γ | 90° |
| Cell volume | 6522.4 ± 1.1 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.1751 |
| Weighted residual factors for all reflections included in the refinement | 0.1908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211569 (current) | 2018-10-20 | cif/ hkl/ Adding structures of 2242689 via cif-deposit CGI script. |
2242689.cif 2242689.hkl |
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Users of the data should acknowledge the original authors of the
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