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Information card for entry 7224940
Preview
| Coordinates | 7224940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-aminocyclopent-1-enecarbothioic dithioperoxyanhydride |
|---|---|
| Formula | C12 H16 N2 S4 |
| Calculated formula | C12 H16 N2 S4 |
| SMILES | S=C(SSC(=S)C1=C(N)CCC1)C1=C(N)CCC1 |
| Title of publication | 3, 6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) mediated metal-free mild oxidation of thiols to disulfides in aqueous medium |
| Authors of publication | Samanta, Suvendu; Ray, Shounak; Ghosh, Abhisek Brata; Biswas, Papu |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.0283 ± 0.0013 Å |
| b | 8.2692 ± 0.0009 Å |
| c | 14.3216 ± 0.0015 Å |
| α | 90° |
| β | 102.017 ± 0.002° |
| γ | 90° |
| Cell volume | 1393.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0355 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182140 (current) | 2016-04-15 | cif/ Adding structures of 7224940, 7224941 via cif-deposit CGI script. |
7224940.cif |
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