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Information card for entry 7121841
Preview
| Coordinates | 7121841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H34 N4 S |
|---|---|
| Calculated formula | C25 H34 N4 S |
| Title of publication | Unveiling the redox-active character of imidazolin-2-thiones derived from amino-substituted N-heterocyclic carbenes. |
| Authors of publication | Ruamps, Mirko; Bastin, Stéphanie; Rechignat, Lionel; Sournia-Saquet, Alix; Valyaev, Dmitry A.; Mouesca, Jean-Marie; Lugan, Noël; Maurel, Vincent; César, Vincent |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 55 |
| Pages of publication | 7653 - 7656 |
| a | 15.443 ± 0.0013 Å |
| b | 11.2028 ± 0.001 Å |
| c | 15.4669 ± 0.0012 Å |
| α | 90° |
| β | 117.896 ± 0.003° |
| γ | 90° |
| Cell volume | 2364.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121841.cif |
| 228061 | 2019-11-17 | cif/ Updating files of 7121841, 7121842 Original log message: Adding full bibliography for 7121841--7121842.cif. |
7121841.cif |
| 208395 | 2018-06-15 | cif/ Adding structures of 7121841, 7121842 via cif-deposit CGI script. |
7121841.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.