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Information card for entry 1554519
Preview
| Coordinates | 1554519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 N O3 S |
|---|---|
| Calculated formula | C23 H21 N O3 S |
| SMILES | S(=O)(=O)(c1ccccc1)/C=C(/N(C(=O)C)Cc1ccccc1)c1ccccc1 |
| Title of publication | Cu(OTf)2-mediated C(sp2)‒H arylsulfonylation of enamides via the insertion of sulfur dioxide |
| Authors of publication | Zhu, Tong-Hao; Zhang, Xiao-Chen; Zhao, Kai; Loh, Teck-Peng |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 94 |
| a | 8.3257 ± 0.0007 Å |
| b | 15.1988 ± 0.0012 Å |
| c | 16.3404 ± 0.0013 Å |
| α | 90° |
| β | 95.005 ± 0.004° |
| γ | 90° |
| Cell volume | 2059.8 ± 0.3 Å3 |
| Cell temperature | 303 ± 2 K |
| Ambient diffraction temperature | 303 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237305 (current) | 2019-11-24 | cif/ Adding structures of 1554519 via cif-deposit CGI script. |
1554519.cif |
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Users of the data should acknowledge the original authors of the
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