Information card for entry 2213579
Common name |
1,3,5-Tricyclopropyl-1,3,5-triazinane |
Chemical name |
1,3,5-tricyclopropyl-1,3,5-triazinane |
Formula |
C12 H21 N3 |
Calculated formula |
C12 H21 N3 |
SMILES |
N1(CN(CN(C1)C1CC1)C1CC1)C1CC1 |
Title of publication |
1,3,5-Tricyclopropyl-1,3,5-triazinane |
Authors of publication |
Poethig, Alexander; Ahrens, Sebastian; Strassner, Thomas |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
5 |
Pages of publication |
o2398 - o2399 |
a |
8.705 ± 0.001 Å |
b |
16.231 ± 0.001 Å |
c |
8.514 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1203 ± 0.3 Å3 |
Cell temperature |
198 ± 2 K |
Ambient diffraction temperature |
198 ± 2 K |
Number of distinct elements |
3 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.0402 |
Residual factor for significantly intense reflections |
0.032 |
Weighted residual factors for significantly intense reflections |
0.0739 |
Weighted residual factors for all reflections included in the refinement |
0.0782 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.043 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2213579.html