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Information card for entry 4131058
Preview
| Coordinates | 4131058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C110 H112 B2 N8 |
|---|---|
| Calculated formula | C110 H112 B2 N8 |
| Title of publication | Neutral Aminyl Radicals Derived from Azoimidazolium Dyes. |
| Authors of publication | Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 46 |
| Pages of publication | 15126 - 15129 |
| a | 24.935 ± 0.0019 Å |
| b | 11.6577 ± 0.0005 Å |
| c | 34.387 ± 0.003 Å |
| α | 90° |
| β | 98.459 ± 0.008° |
| γ | 90° |
| Cell volume | 9887 ± 1.2 Å3 |
| Cell temperature | 140.01 ± 0.11 K |
| Ambient diffraction temperature | 140.01 ± 0.11 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1783 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2568 |
| Weighted residual factors for all reflections included in the refinement | 0.3336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4131058.cif |
| 241366 | 2019-11-25 | cif/ Adding structures of 4131058 via cif-deposit CGI script. |
4131058.cif |
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.