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Information card for entry 7120725
Preview
| Coordinates | 7120725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H50 F4 Mg N2 O |
|---|---|
| Calculated formula | C39 H50 F4 Mg N2 O |
| Title of publication | Ligand-induced reactivity of β-diketiminate magnesium complexes for regioselective functionalization of fluoroarenes via C-H or C-F bond activations |
| Authors of publication | Hevia, Eva; Davin, Laia; McLellan, Ross; Kennedy, Alan |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 12.443 ± 0.0004 Å |
| b | 16.6363 ± 0.0006 Å |
| c | 18.2241 ± 0.0006 Å |
| α | 90° |
| β | 97.499 ± 0.003° |
| γ | 90° |
| Cell volume | 3740.2 ± 0.2 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123.15 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1511 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0423 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201537 (current) | 2017-09-30 | cif/ Adding structures of 7120725, 7120726 via cif-deposit CGI script. |
7120725.cif |
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Users of the data should acknowledge the original authors of the
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