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Information card for entry 7159740
Preview
| Coordinates | 7159740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 N2 O2 S2 |
|---|---|
| Calculated formula | C13 H14 N2 O2 S2 |
| SMILES | S(=O)(=O)(N)c1ccc(NSc2ccc(cc2)C)cc1 |
| Title of publication | Thiosuccinimide enabled S-N bond formation to access <i>N</i>-sulfenylated sulfonamide derivatives with synthetic diversity. |
| Authors of publication | Wang, Peifeng; Li, Shan; Wen, Huiling; Lei, Yin; Huang, Shujuan; Wang, Zixiu; Su, Jialong; Guan, Wenxiang; Lei, Jian |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 5 |
| Pages of publication | 990 - 997 |
| a | 4.9499 ± 0.0003 Å |
| b | 13.8952 ± 0.001 Å |
| c | 20.1686 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1387.19 ± 0.17 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.1147 |
| Residual factor for significantly intense reflections | 0.1028 |
| Weighted residual factors for significantly intense reflections | 0.2746 |
| Weighted residual factors for all reflections included in the refinement | 0.2893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289610 (current) | 2024-02-04 | cif/ Updating files of 7159740 Original log message: Adding full bibliography for 7159740.cif. |
7159740.cif |
| 288562 | 2023-12-28 | cif/ Adding structures of 7159740 via cif-deposit CGI script. |
7159740.cif |
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Users of the data should acknowledge the original authors of the
structural data.