Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1554854
Preview
Coordinates | 1554854.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H47.66 F12 N6.5 O4.08 P2 |
---|---|
Calculated formula | C33 H47.659 F12 N6.5 O4.0795 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 | 12.1931 ± 0.0003 Å |
b | 15.3991 ± 0.0004 Å |
c | 22.7102 ± 0.0005 Å |
α | 95.65 ± 0.002° |
β | 102.392 ± 0.002° |
γ | 94.7722 ± 0.0019° |
Cell volume | 4120.61 ± 0.18 Å3 |
Cell temperature | 149.95 ± 0.1 K |
Ambient diffraction temperature | 149.95 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0807 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.137 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1554854.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.