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Information card for entry 7125733
Preview
| Coordinates | 7125733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H15 F2 N |
|---|---|
| Calculated formula | C22 H15 F2 N |
| Title of publication | Pd(ii)-Catalyzed decarboxylative meta-C-H difluoromethylation. |
| Authors of publication | Zhao, Huaxin; Ma, Guobin; Xie, Xiaojuan; Wang, Yong; Hao, Jian; Wan, Wen |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2019 |
| Journal volume | 55 |
| Journal issue | 27 |
| Pages of publication | 3927 - 3930 |
| a | 15.086 ± 0.011 Å |
| b | 21.938 ± 0.016 Å |
| c | 10.094 ± 0.008 Å |
| α | 90° |
| β | 93.185 ± 0.01° |
| γ | 90° |
| Cell volume | 3336 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1093 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1835 |
| Weighted residual factors for all reflections included in the refinement | 0.2228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125733.cif |
| 246587 | 2020-01-04 | cif/ Adding structures of 7125733, 7125734 via cif-deposit CGI script. |
7125733.cif |
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Users of the data should acknowledge the original authors of the
structural data.