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Information card for entry 1576243
Preview
| Coordinates | 1576243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H19 F2 N S2 |
|---|---|
| Calculated formula | C20 H19 F2 N S2 |
| Title of publication | Cis-Difluoromethyl Hetarylative Dearomatization by Radical Docking-Migration Cascade |
| Authors of publication | Wang, Jie; Kang, Hao; Yang, Shan; Zhu, Cao; Chen, Xiangyang; Zhu, Chen |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.3756 ± 0.0001 Å |
| b | 12.792 ± 0.0002 Å |
| c | 13.8892 ± 0.0002 Å |
| α | 78.573 ± 0.001° |
| β | 66.76 ± 0.001° |
| γ | 74.049 ± 0.001° |
| Cell volume | 1776.39 ± 0.04 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 | 0.0327 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303261 (current) | 2025-11-12 | cif/ Adding structures of 1576241, 1576242, 1576243 via cif-deposit CGI script. |
1576243.cif |
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Users of the data should acknowledge the original authors of the
structural data.