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Information card for entry 7154964
Preview
| Coordinates | 7154964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H22 Br6 N2 |
|---|---|
| Calculated formula | C36 H22 Br6 N2 |
| SMILES | Brc1c(ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)c1)c1c(Br)cc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 |
| Title of publication | A search for blues brothers: X-ray crystallographic/spectroscopic characterization of the tetraarylbenzidine cation radical as a product of aging of solid magic blue. |
| Authors of publication | Talipov, Marat R.; Hossain, Mohammad M.; Boddeda, Anitha; Thakur, Khushabu; Rathore, Rajendra |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2961 - 2968 |
| a | 10.1188 ± 0.0002 Å |
| b | 13.8839 ± 0.0003 Å |
| c | 16.4081 ± 0.0005 Å |
| α | 107.983 ± 0.002° |
| β | 106.75 ± 0.002° |
| γ | 96.924 ± 0.002° |
| Cell volume | 2043.2 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154964.cif |
| 177913 | 2016-03-05 | cif/ Updating files of 7154963, 7154964, 7154965 Original log message: Adding full bibliography for 7154963--7154965.cif. |
7154964.cif |
| 176223 | 2016-02-05 | cif/ Adding structures of 7154963, 7154964, 7154965 via cif-deposit CGI script. |
7154964.cif |
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Users of the data should acknowledge the original authors of the
structural data.