Information card for entry 2209688
Chemical name |
2,6-Di-tert-butyl-4-{[N-(4,6-dichloro-1,3,5-triazin-2- yl)propylamino]methyl}phenol |
Formula |
C21 H30 Cl2 N4 O |
Calculated formula |
C21 H30 Cl2 N4 O |
SMILES |
CCCN(c1nc(Cl)nc(n1)Cl)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C |
Title of publication |
2,6-Di-<i>tert</i>-butyl-4-{[<i>N</i>-(4,6-dichloro-1,3,5-triazin-2-yl)propylamino]methyl}phenol |
Authors of publication |
Tao, Zeng; Li-Gong Chen |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
7 |
Pages of publication |
o2916 - o2917 |
a |
9.9134 ± 0.0017 Å |
b |
19.373 ± 0.003 Å |
c |
12.378 ± 0.002 Å |
α |
90° |
β |
98.037 ± 0.003° |
γ |
90° |
Cell volume |
2353.9 ± 0.7 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
5 |
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 |
0.1224 |
Residual factor for significantly intense reflections |
0.0498 |
Weighted residual factors for significantly intense reflections |
0.1154 |
Weighted residual factors for all reflections included in the refinement |
0.1495 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.003 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2209688.html