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Information card for entry 1553615
Preview
| Coordinates | 1553615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N O2 S2 |
|---|---|
| Calculated formula | C23 H19 N O2 S2 |
| SMILES | S(c1ccccc1)C(=N\c1ccccc1/C=C/C(=O)OC)\Sc1ccccc1 |
| Title of publication | A copper-catalyzed arylation/nucleophilic addition/fragmentation/C–S bond formation cascade: synthesis of bis(arylthio)imines |
| Authors of publication | Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | 510 |
| a | 8.189 ± 0.002 Å |
| b | 14.782 ± 0.004 Å |
| c | 17.421 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2108.8 ± 1 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| 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. |
1553615.cif |
| 235209 | 2019-11-23 | cif/ Adding structures of 1553614, 1553615 via cif-deposit CGI script. |
1553615.cif |
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Users of the data should acknowledge the original authors of the
structural data.