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Information card for entry 1551280
Preview
| Coordinates | 1551280.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 Cl2 O |
|---|---|
| Calculated formula | C10 H10 Cl2 O |
| 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 | 5.04728 ± 0.00018 Å |
| b | 19.5159 ± 0.0006 Å |
| c | 20.2528 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1994.95 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| 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. |
1551280.cif |
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