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Information card for entry 7160416
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| Coordinates | 7160416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 N S |
|---|---|
| Calculated formula | C10 H9 N S |
| Title of publication | Base-controlled Regioselectivity via Distinct Mechanisms During C–H Thionation of Azinium Salts with Elemental Sulfur |
| Authors of publication | Kositova, Olga A.; Bugaenko, Dmitry; Gontcharenko , Victoria E.; Nechaev, Mikhail; Karchava, Alexander |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 15.077 ± 0.003 Å |
| b | 7.584 ± 0.002 Å |
| c | 28.746 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3286.9 ± 1.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1513 |
| Residual factor for significantly intense reflections | 0.0867 |
| Weighted residual factors for significantly intense reflections | 0.2013 |
| Weighted residual factors for all reflections included in the refinement | 0.2392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298458 (current) | 2025-03-15 | cif/ Adding structures of 7160415, 7160416, 7160417, 7160418 via cif-deposit CGI script. |
7160416.cif |
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Users of the data should acknowledge the original authors of the
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