Information card for entry 2004795
| Chemical name |
2,8-dimethyl-5,11-dipropyl-4,5,6,10,11,12-hexahydro-imidazo[4,5-h]- imidazo[4,5-c][1,6]diazecine |
| Formula |
C18 H42 N6 O6 |
| Calculated formula |
C18 H42 N6 O6 |
| Title of publication |
2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine Hexahydrate |
| Authors of publication |
Mendoza-Díaz, G.; Driessen, W. L.; Reedijk, J. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1996 |
| Journal volume |
52 |
| Journal issue |
4 |
| Pages of publication |
960 - 962 |
| a |
8.286 ± 0.002 Å |
| b |
6.824 ± 0.004 Å |
| c |
11.755 ± 0.004 Å |
| α |
110.9 ± 0.04° |
| β |
92.05 ± 0.02° |
| γ |
92.37 ± 0.04° |
| Cell volume |
619.5 ± 0.5 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.132 |
| Residual factor for significantly intense reflections |
0.054 |
| Weighted residual factors for all reflections |
0.065 |
| Weighted residual factors for significantly intense reflections |
0.058 |
| Goodness-of-fit parameter for all reflections |
1.781 |
| Goodness-of-fit parameter for significantly intense reflections |
2.469 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2004795.html
