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Information card for entry 7160547
Preview
| Coordinates | 7160547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 I O2 S |
|---|---|
| Calculated formula | C16 H15 I O2 S |
| Title of publication | Metal-free iodosulfonylation of alkynes to access (<i>E</i>)-β-iodovinyl sulfones in water. |
| Authors of publication | Peng, Guiting; Wei, Fang; Bai, Jiang; Ding, Haixin; Yu, Xin; Xiao, Qiang |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| a | 5.5284 ± 0.0003 Å |
| b | 9.1429 ± 0.0004 Å |
| c | 31.8213 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1608.43 ± 0.14 Å3 |
| Cell temperature | 655 ± 2 K |
| Ambient diffraction temperature | 655 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299623 (current) | 2025-05-13 | cif/ Adding structures of 7160547 via cif-deposit CGI script. |
7160547.cif |
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Users of the data should acknowledge the original authors of the
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