Information card for entry 2201021
Common name |
cis-[4a]-cisoid-[4a,4b]-cis-[4b]-1,3,4b,5,7,8b-Hexamethylperhydro-1,3,5,7- tetraazabiphenylene-2,4,6,8-tetraone |
Formula |
C14 H20 N4 O4 |
Calculated formula |
C14 H20 N4 O4 |
SMILES |
N1(C(=O)N(C(=O)C2C1(C)C1C(=O)N(C(=O)N(C21C)C)C)C)C |
Title of publication |
<i>cis</i>-[4a]-<i>cisoid</i>-[4a,4b]-<i>cis</i>-[4b]-1,3,4b,5,7,8b-Hexamethylperhydro-1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone |
Authors of publication |
Näther, Christian; Krüger, Oliver; Wille, Uta |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2002 |
Journal volume |
58 |
Journal issue |
4 |
Pages of publication |
o405 - o406 |
a |
8.4422 ± 0.0006 Å |
b |
14.0159 ± 0.0011 Å |
c |
12.7803 ± 0.0008 Å |
α |
90° |
β |
104.445 ± 0.008° |
γ |
90° |
Cell volume |
1464.42 ± 0.19 Å3 |
Cell temperature |
170 ± 2 K |
Ambient diffraction temperature |
170 ± 2 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 |
0.0484 |
Residual factor for significantly intense reflections |
0.0447 |
Weighted residual factors for significantly intense reflections |
0.1194 |
Weighted residual factors for all reflections included in the refinement |
0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
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/2201021.html