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Information card for entry 7234279
Preview
| Coordinates | 7234279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H7 F3 N2 |
|---|---|
| Calculated formula | C10 H7 F3 N2 |
| Title of publication | Copper-catalyzed chemoselective synthesis of 4-trifluoromethyl pyrazoles |
| Authors of publication | Lu, Jiaqing; Man, Yuning; Zhang, Yabin; Lin, Bo; Lin, Qi; Weng, Zhiqiang |
| Journal of publication | RSC Advances |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 53 |
| Pages of publication | 30952 |
| a | 11.351 ± 0.014 Å |
| b | 7.944 ± 0.009 Å |
| c | 10.95 ± 0.013 Å |
| α | 90° |
| β | 104.676 ± 0.018° |
| γ | 90° |
| Cell volume | 955 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.1355 |
| Residual factor for significantly intense reflections | 0.1115 |
| Weighted residual factors for significantly intense reflections | 0.2577 |
| Weighted residual factors for all reflections included in the refinement | 0.2952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234279.cif |
| 218999 | 2019-10-02 | cif/ Adding structures of 7234279 via cif-deposit CGI script. |
7234279.cif |
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Users of the data should acknowledge the original authors of the
structural data.