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Information card for entry 7120726
Preview
| Coordinates | 7120726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H54 Mg N2 O2 |
|---|---|
| Calculated formula | C41 H54 Mg N2 O2 |
| 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 | 9.1082 ± 0.0008 Å |
| b | 11.6359 ± 0.0009 Å |
| c | 18.2169 ± 0.0017 Å |
| α | 72.767 ± 0.007° |
| β | 86.724 ± 0.007° |
| γ | 84.098 ± 0.007° |
| Cell volume | 1833.5 ± 0.3 Å3 |
| Cell temperature | 122.8 K |
| Ambient diffraction temperature | 122.8 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7120726.cif |
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Users of the data should acknowledge the original authors of the
structural data.