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Information card for entry 1554846
Preview
| Coordinates | 1554846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H49 F12 N7 O4 P2 |
|---|---|
| Calculated formula | C34 H49 F12 N7 O4 P2 |
| 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 | 24.915 ± 0.002 Å |
| b | 8.8562 ± 0.0007 Å |
| c | 19.8464 ± 0.0018 Å |
| α | 90° |
| β | 105.666 ± 0.009° |
| γ | 90° |
| Cell volume | 4216.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.138 |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
1554846.cif |
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Users of the data should acknowledge the original authors of the
structural data.