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Information card for entry 1564693
Preview
| Coordinates | 1564693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H16 Cl2 O3 S |
|---|---|
| Calculated formula | C23 H16 Cl2 O3 S |
| SMILES | c1(S(=O)(=O)/C(=C/c2ccc(cc2)C=O)C(=C)c2ccc(Cl)cc2)ccc(Cl)cc1 |
| Title of publication | Regiodivergent Sulfonylarylations of 1,3-Enynes via Nickel/Photoredox Dual Catalysis |
| Authors of publication | Chen, Ya; Zhu, Kun; Huang, Qingqin; Lu, Yixin |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 7.3445 ± 0.0005 Å |
| b | 7.543 ± 0.0005 Å |
| c | 18.6349 ± 0.0012 Å |
| α | 97.717 ± 0.002° |
| β | 95.887 ± 0.002° |
| γ | 105.087 ± 0.002° |
| Cell volume | 977.5 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1045 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269217 (current) | 2021-09-21 | cif/ Adding structures of 1564693, 1564694 via cif-deposit CGI script. |
1564693.cif |
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