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Information card for entry 1567425
Preview
| Coordinates | 1567425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H24 O4 S |
|---|---|
| Calculated formula | C21 H24 O4 S |
| SMILES | S(=O)(=O)([C@@H](CC(=O)c1ccc(OC)cc1)c1ccccc1)C1CCCC1 |
| Title of publication | Access to chiral β-sulfonyl carbonyl compounds via photoinduced organocatalytic asymmetric radical sulfonylation with sulfur dioxide |
| Authors of publication | He, Fu-Sheng; Zhang, Chun; Jiang, Minghui; Lou, Lujun; Wu, Jie; Ye, Shengqing |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 30 |
| Pages of publication | 8834 - 8839 |
| a | 11.826 ± 0.002 Å |
| b | 7.8223 ± 0.0013 Å |
| c | 12.199 ± 0.002 Å |
| α | 90° |
| β | 118.99° |
| γ | 90° |
| Cell volume | 987.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277072 (current) | 2022-08-05 | cif/ Adding structures of 1567425 via cif-deposit CGI script. |
1567425.cif |
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Users of the data should acknowledge the original authors of the
structural data.