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Information card for entry 1574996
Preview
| Coordinates | 1574996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H22 Cl2 N2 Ni O4 S2 |
|---|---|
| Calculated formula | C14 H22 Cl2 N2 Ni O4 S2 |
| Title of publication | Electrochemical promoted defluorinative sulfoximination and fluorosulfonylation of non-activated aryl fluorides at room temperature |
| Authors of publication | Kong, Xianqiang; Chen, Yiyi; Zhang, Shuangquan; Feng, Kun; Chen, Xiaohui; Dong, Lin-Hui; Li, Meng-Hua; Xu, Yuanqing; Cao, ZhongYan |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 5.6865 ± 0.0002 Å |
| b | 8.1059 ± 0.0003 Å |
| c | 10.908 ± 0.0004 Å |
| α | 98.438 ± 0.002° |
| β | 101.431 ± 0.002° |
| γ | 101.186 ± 0.002° |
| Cell volume | 474.41 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| 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 |
|---|---|---|---|
| 300279 (current) | 2025-07-02 | cif/ Adding structures of 1574996 via cif-deposit CGI script. |
1574996.cif |
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Users of the data should acknowledge the original authors of the
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