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Information card for entry 1547106
Preview
| Coordinates | 1547106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H25 N O5 S2 |
|---|---|
| Calculated formula | C26 H25 N O5 S2 |
| SMILES | S(=O)(=O)(N(S(=O)(=O)c1ccccc1)/C(=C(\C=C\CCC)c1ccccc1)C=O)c1ccccc1 |
| Title of publication | Copper-Catalyzed Imidovinylation of Alkynes via 1,3-Vinyl Migration. |
| Authors of publication | Sun, Jiaqiong; Zheng, Guangfan; Zhang, Qiao; Wang, Yimin; Yang, Shengbiao; Zhang, Qian; Li, Yan; Zhang, Qian |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 14 |
| Pages of publication | 3767 - 3770 |
| a | 10.796 Å |
| b | 11.834 Å |
| c | 19.55 Å |
| α | 90° |
| β | 97.95° |
| γ | 90° |
| Cell volume | 2473.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0724 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
| 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. |
1547106.cif |
| 200625 | 2017-09-12 | cif/ Adding structures of 1547106 via cif-deposit CGI script. |
1547106.cif |
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Users of the data should acknowledge the original authors of the
structural data.