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Information card for entry 1564694
Preview
| Coordinates | 1564694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H33 Cl O3 S |
|---|---|
| Calculated formula | C35 H33 Cl O3 S |
| 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 | 11.6577 ± 0.0003 Å |
| b | 27.6265 ± 0.0008 Å |
| c | 10.2389 ± 0.0003 Å |
| α | 90° |
| β | 113.393 ± 0.001° |
| γ | 90° |
| Cell volume | 3026.51 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0508 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269217 (current) | 2021-09-21 | cif/ Adding structures of 1564693, 1564694 via cif-deposit CGI script. |
1564694.cif |
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