Information card for entry 2207979
| Chemical name |
2,13-dibenzyl-5,16-dimethyl-2,6,13,17- tetraazatricyclo[16.4.0^1,18^.0^7,12^]docosane |
| Formula |
C34 H52 N4 |
| Calculated formula |
C34 H52 N4 |
| SMILES |
C[C@@H]1CCN(Cc2ccccc2)[C@H]2CCCC[C@@H]2N[C@H](CCN([C@H]2[C@H](N1)CCCC2)Cc1ccccc1)C |
| Title of publication |
A tetraazamacrocycle with benzyl substituents |
| Authors of publication |
Choi, Jong-Ha; Clegg, William; Harrington, Ross W.; Yoon, Hyang-Mi; Hong, Yong Pyo |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2006 |
| Journal volume |
62 |
| Journal issue |
2 |
| Pages of publication |
o644 - o646 |
| a |
8.8976 ± 0.0012 Å |
| b |
9.2438 ± 0.0012 Å |
| c |
9.2535 ± 0.0012 Å |
| α |
82.467 ± 0.002° |
| β |
87.605 ± 0.002° |
| γ |
79.982 ± 0.002° |
| Cell volume |
742.87 ± 0.17 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0707 |
| Residual factor for significantly intense reflections |
0.0637 |
| Weighted residual factors for significantly intense reflections |
0.1282 |
| Weighted residual factors for all reflections included in the refinement |
0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.271 |
| 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/2207979.html
