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Information card for entry 7132054
Preview
| Coordinates | 7132054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 N O4 S |
|---|---|
| Calculated formula | C17 H15 N O4 S |
| SMILES | S([C@@H]1[C@@H](O)C(=O)N(C1=O)c1ccccc1)c1ccc(OC)cc1 |
| Title of publication | Photo-induced 1,2-thiohydroxylation of maleimide involving disulfide and singlet oxygen |
| Authors of publication | Khandelia, Tamanna; Ghosh, Subhendu; Panigrahi, Pritishree; Mandal, Raju; Boruah, Deepjyoti; Patel, Bhisma K. |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 5.2038 ± 0.0007 Å |
| b | 13.8139 ± 0.0017 Å |
| c | 21.853 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1570.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1223 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.1804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285861 (current) | 2023-08-25 | cif/ Adding structures of 7132054 via cif-deposit CGI script. |
7132054.cif |
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