Information card for entry 2233110
| Chemical name |
1-Hexyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide |
| Formula |
C13 H27 I N4 |
| Calculated formula |
C13 H27 I N4 |
| Title of publication |
1-Hexyl-1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecan-1-ium iodide |
| Authors of publication |
Rivera, Augusto; Sadat-Bernal, John; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2012 |
| Journal volume |
68 |
| Journal issue |
1 |
| Pages of publication |
o17 |
| a |
8.4914 ± 0.0004 Å |
| b |
16.1497 ± 0.0006 Å |
| c |
11.8673 ± 0.0006 Å |
| α |
90° |
| β |
102.69 ± 0.005° |
| γ |
90° |
| Cell volume |
1587.65 ± 0.13 Å3 |
| Cell temperature |
120 K |
| Ambient diffraction temperature |
120 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.0548 |
| Residual factor for significantly intense reflections |
0.0343 |
| Weighted residual factors for significantly intense reflections |
0.0814 |
| Weighted residual factors for all reflections included in the refinement |
0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.23 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2233110.html
