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Information card for entry 4034801
Preview
| Coordinates | 4034801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.6 H2.4 Cu F3 N0.8 S |
|---|---|
| Calculated formula | C2.6 H2.4 Cu F3 N0.8 S |
| Title of publication | Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate. |
| Authors of publication | Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 10 |
| Pages of publication | 5836 - 5843 |
| a | 12.3929 ± 0.0013 Å |
| b | 18.2045 ± 0.0019 Å |
| c | 14.051 ± 0.0014 Å |
| α | 90° |
| β | 101.083 ± 0.002° |
| γ | 90° |
| Cell volume | 3110.9 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226321 (current) | 2019-11-11 | cif/ Adding structures of 4034801 via cif-deposit CGI script. |
4034801.cif |
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