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Information card for entry 1550993
Preview
| Coordinates | 1550993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H76 Li2 N10 O6 |
|---|---|
| Calculated formula | C56 H76 Li2 N10 O6 |
| Title of publication | Synthesis of aminyl biradicals by base-induced Csp3–Csp3 coupling of cationic azo dyes |
| Authors of publication | Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 11.2403 ± 0.0002 Å |
| b | 16.0729 ± 0.0002 Å |
| c | 17.983 ± 0.0003 Å |
| α | 90° |
| β | 91.9104 ± 0.0017° |
| γ | 90° |
| Cell volume | 3247.08 ± 0.09 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1813 |
| Weighted residual factors for all reflections included in the refinement | 0.1949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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 |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1550993.cif |
| 215020 | 2019-05-10 | cif/ Adding structures of 1550992, 1550993, 1550994, 1550995, 1550996 via cif-deposit CGI script. |
1550993.cif |
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Users of the data should acknowledge the original authors of the
structural data.