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Information card for entry 2243087
Preview
| Coordinates | 2243087.cif |
|---|---|
| Structure factors | 2243087.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 4-Bromo-<i>N</i>-[(3,6-di-<i>tert</i>-butyl-9<i>H</i>-carbazol-1-yl)methylidene]aniline |
|---|---|
| Formula | C27 H29 Br N2 |
| Calculated formula | C27 H29 Br N2 |
| Title of publication | Crystal structure of 4-bromo-<i>N</i>-[(3,6-di-<i>tert</i>-butyl-9<i>H</i>-carbazol-1-yl)methylidene]aniline |
| Authors of publication | Kubono, Koji; Matsumoto, Taisuke; Taneda, Masatsugu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 10 |
| Pages of publication | 1429 - 1431 |
| a | 9.9949 ± 0.0005 Å |
| b | 23.546 ± 0.001 Å |
| c | 10.2919 ± 0.0006 Å |
| α | 90° |
| β | 108.334 ± 0.006° |
| γ | 90° |
| Cell volume | 2299.1 ± 0.2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2243087.cif 2243087.hkl |
| 218158 | 2019-09-11 | cif/ hkl/ Adding structures of 2243087 via cif-deposit CGI script. |
2243087.cif 2243087.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.