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Information card for entry 1567478
Preview
| Coordinates | 1567478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | gc79b1f2 |
|---|---|
| Formula | C31 H25 F7 N3 Ni O3 |
| Calculated formula | C31 H25 F7 N3 Ni O3 |
| Title of publication | Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction |
| Authors of publication | Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 33 |
| Pages of publication | 9507 - 9514 |
| a | 11.0205 ± 0.0001 Å |
| b | 13.9185 ± 0.0001 Å |
| c | 19.0776 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2926.29 ± 0.05 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277657 (current) | 2022-09-06 | cif/ Updating files of 1567476, 1567477, 1567478, 1567479 Original log message: Adding full bibliography for 1567476--1567479.cif. |
1567478.cif |
| 277247 | 2022-08-16 | cif/ Adding structures of 1567476, 1567477, 1567478, 1567479 via cif-deposit CGI script. |
1567478.cif |
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Users of the data should acknowledge the original authors of the
structural data.