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Information card for entry 1574376
Preview
| Coordinates | 1574376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 F N3 |
|---|---|
| Calculated formula | C17 H14 F N3 |
| Title of publication | O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers |
| Authors of publication | Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 13.1473 ± 0.0013 Å |
| b | 6.2052 ± 0.0005 Å |
| c | 18.1878 ± 0.0017 Å |
| α | 90° |
| β | 106.936 ± 0.01° |
| γ | 90° |
| Cell volume | 1419.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1131 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1354 |
| Weighted residual factors for all reflections included in the refinement | 0.1725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299240 (current) | 2025-04-10 | cif/ Adding structures of 1574376, 1574377 via cif-deposit CGI script. |
1574376.cif |
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Users of the data should acknowledge the original authors of the
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