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Information card for entry 7248732
Preview
| Coordinates | 7248732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H11 N O4 S |
|---|---|
| Calculated formula | C15 H11 N O4 S |
| SMILES | S1(=O)(=O)Oc2c(cccc2)[C@H]2N1[C@@H]2C(=O)c1ccccc1.S1(=O)(=O)Oc2c(cccc2)[C@@H]2N1[C@H]2C(=O)c1ccccc1 |
| Title of publication | Base mediated aza-[2 + 1] annulation and regioselective aziridine ring-opening cascade: mild synthesis of functionalized β-amino ketones from cyclic N-sulfonyl aldimines and α-carbonyl sulfonium salts |
| Authors of publication | Lei, Xiaoqiang; Sun, Yanyan; Guo, Qinglan; Shi, Jiangong |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 17178 - 17183 |
| a | 17.0912 ± 0.0003 Å |
| b | 5.88627 ± 0.0001 Å |
| c | 13.7901 ± 0.0003 Å |
| α | 90° |
| β | 109.188 ± 0.002° |
| γ | 90° |
| Cell volume | 1310.26 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| 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 |
|---|---|---|---|
| 292088 (current) | 2024-05-29 | cif/ Adding structures of 7248732 via cif-deposit CGI script. |
7248732.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.