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Information card for entry 1554847
Preview
| Coordinates | 1554847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6c |
|---|---|
| Formula | C26 H39.5 F9 N4.5 O5 P S |
| Calculated formula | C26 H39.5 F9 N4.5 O5 P S |
| Title of publication | Stable dicationic dioxoliums and fate of their dioxolyl radicals |
| Authors of publication | Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 18 |
| Pages of publication | 3184 |
| a | 10.7516 ± 0.0004 Å |
| b | 12.0558 ± 0.0006 Å |
| c | 14.8348 ± 0.0006 Å |
| α | 107.62 ± 0.004° |
| β | 93.413 ± 0.003° |
| γ | 109.731 ± 0.004° |
| Cell volume | 1696.8 ± 0.14 Å3 |
| Cell temperature | 150 ± 0.14 K |
| Ambient diffraction temperature | 150 ± 0.14 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1572 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238151 (current) | 2019-11-24 | cif/ Adding structures of 1554843, 1554844, 1554845, 1554846, 1554847, 1554848, 1554849, 1554850, 1554851, 1554852, 1554853, 1554854 via cif-deposit CGI script. |
1554847.cif |
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Users of the data should acknowledge the original authors of the
structural data.