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Information card for entry 1555192
Preview
| Coordinates | 1555192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 Cl N O2 S |
|---|---|
| Calculated formula | C19 H20 Cl N O2 S |
| SMILES | [C@]1(C(=O)c2ccccc2)([C@@H](c2ccccc2)N1S(C(C)(C)C)=O)Cl |
| Title of publication | Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines. |
| Authors of publication | Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 16 |
| Pages of publication | 4042 - 4045 |
| a | 8.434 ± 0.006 Å |
| b | 9.511 ± 0.007 Å |
| c | 23.843 ± 0.016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1913 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1328 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555192.cif |
| 238379 | 2019-11-24 | cif/ Adding structures of 1555192 via cif-deposit CGI script. |
1555192.cif |
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Users of the data should acknowledge the original authors of the
structural data.