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Information card for entry 1551279
Preview
| Coordinates | 1551279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Br F O |
|---|---|
| Calculated formula | C10 H8 Br F O |
| SMILES | Brc1cc2c(cc1)CC[C@H](C2=O)F |
| Title of publication | Enantioselective photoredox dehalogenative protonation |
| Authors of publication | Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 7.8209 ± 0.0006 Å |
| b | 6.9066 ± 0.0008 Å |
| c | 8.6288 ± 0.0006 Å |
| α | 90° |
| β | 100.372 ± 0.007° |
| γ | 90° |
| Cell volume | 458.48 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215764 (current) | 2019-06-08 | cif/ Adding structures of 1551279, 1551280 via cif-deposit CGI script. |
1551279.cif |
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Users of the data should acknowledge the original authors of the
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