Information card for entry 4125259
| Formula |
C46 H68 F N5 O2 |
| Calculated formula |
C46 H68 F N5 O2 |
| SMILES |
O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)C.[N+](CCCC)(CCCC)(CCCC)CCCC.O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)C.[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 |
23.8541 ± 0.0002 Å |
| b |
15.0254 ± 0.0002 Å |
| c |
25.4496 ± 0.0003 Å |
| α |
90° |
| β |
107.328 ± 0.0004° |
| γ |
90° |
| Cell volume |
8707.59 ± 0.17 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
5 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0964 |
| Residual factor for significantly intense reflections |
0.0573 |
| Weighted residual factors for all reflections |
0.129 |
| Weighted residual factors for significantly intense reflections |
0.1154 |
| Weighted residual factors for all reflections included in the refinement |
0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.99 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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