Information card for entry 4125275
| Formula |
C32 H52 F N3 O4 |
| Calculated formula |
C32 H52 F N3 O4 |
| SMILES |
C1(=C(C(=O)C1=O)Nc1ccccc1)Nc1ccccc1.O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.[F-] |
| Title of publication |
Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power. |
| Authors of publication |
Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique |
| Journal of publication |
Journal of the American Chemical Society |
| Year of publication |
2016 |
| Journal volume |
138 |
| Journal issue |
40 |
| Pages of publication |
13314 |
| a |
22.2441 ± 0.0016 Å |
| b |
8.1479 ± 0.0004 Å |
| c |
20.0331 ± 0.0017 Å |
| α |
90° |
| β |
120.67 ± 0.01° |
| γ |
90° |
| Cell volume |
3123 ± 0.5 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
5 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0247 |
| Residual factor for significantly intense reflections |
0.0246 |
| Weighted residual factors for all reflections |
0.0677 |
| Weighted residual factors for significantly intense reflections |
0.0676 |
| Weighted residual factors for all reflections included in the refinement |
0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0019 |
| Diffraction radiation wavelength |
1.5418 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4125275.html
