Information card for entry 2239853
Chemical name |
6,13-Bis[(pyridin-4-yl)methyl]-6,13-diazatetracyclo[6.6.2.0^4,16^0^11,15^]hexadeca-1,3,8,10,15-pantaene-5,7,12,14-tetrone |
Formula |
C26 H16 N4 O4 |
Calculated formula |
C26 H16 N4 O4 |
SMILES |
c1c(CN2C(=O)c3c4c5c(C(=O)N(Cc6ccncc6)C(=O)c5cc3)ccc4C2=O)ccnc1 |
Title of publication |
Crystal structure of <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methyl]naphthalene diimide |
Authors of publication |
Nicolas-Gomez, Mariana; Martínez-Otero, Diego; Dorazco-González, Alejandro |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2014 |
Journal volume |
70 |
Journal issue |
9 |
Pages of publication |
o985 - o986 |
a |
5.5891 ± 0.0004 Å |
b |
7.5232 ± 0.0005 Å |
c |
11.9525 ± 0.0008 Å |
α |
77.093 ± 0.003° |
β |
88.445 ± 0.004° |
γ |
87.59 ± 0.004° |
Cell volume |
489.37 ± 0.06 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 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 |
0.0386 |
Residual factor for significantly intense reflections |
0.0371 |
Weighted residual factors for significantly intense reflections |
0.1033 |
Weighted residual factors for all reflections included in the refinement |
0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.047 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
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/2239853.html