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Information card for entry 7157180
Preview
| Coordinates | 7157180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H9 F3 N2 |
|---|---|
| Calculated formula | C11 H9 F3 N2 |
| Title of publication | Synthesis of Tri(di)fluoroethylanilines via Copper-Catalyzed Coupling Reaction of Tri(di)fluoroethylamine with (Hetero)Aromatic Bromides |
| Authors of publication | Chen, Suo; Wang, Hui; Jiang, Wei; Rui, Pei-Xin; Hu, Xiang-Guo |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 23.51 ± 0.002 Å |
| b | 23.51 ± 0.002 Å |
| c | 4.8517 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2322.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1255 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223284 (current) | 2019-11-05 | cif/ Adding structures of 7157179, 7157180 via cif-deposit CGI script. |
7157180.cif |
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Users of the data should acknowledge the original authors of the
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