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Information card for entry 1547639
Preview
| Coordinates | 1547639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H18 N2 O4 S |
|---|---|
| Calculated formula | C17 H18 N2 O4 S |
| SMILES | S(=O)(=O)(N[C@H](CC)/C=C/c1ccccc1)c1ccc(N(=O)=O)cc1 |
| Title of publication | Enantioselective Rhodium-Catalyzed Alkenylation of Aliphatic Imines. |
| Authors of publication | Qian, Xue-Wei; Xue, Ze-Jian; Zhao, Qian; Cui, Zhe; Chen, Ya-Jing; Feng, Chen-Guo; Lin, Guo-Qiang |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 20 |
| Pages of publication | 5601 - 5604 |
| a | 7.426 ± 0.0017 Å |
| b | 11.292 ± 0.003 Å |
| c | 20.718 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1737.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547639.cif |
| 202822 | 2017-11-07 | cif/ Updating files of 1547639 Original log message: Adding full bibliography for 1547639.cif. |
1547639.cif |
| 201864 | 2017-10-10 | cif/ Adding structures of 1547639 via cif-deposit CGI script. |
1547639.cif |
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Users of the data should acknowledge the original authors of the
structural data.