Information card for entry 2242230
Common name |
2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione |
Chemical name |
2,3-Diethyl-5,12-dihydroxynaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione |
Formula |
C20 H16 N2 O4 |
Calculated formula |
C20 H16 N2 O4 |
SMILES |
Oc1c2nc(c(nc2c(O)c2c1C(=O)c1ccccc1C2=O)CC)CC |
Title of publication |
Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives |
Authors of publication |
Forsyth, Craig M.; Francis, Craig L. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2017 |
Journal volume |
73 |
Journal issue |
8 |
Pages of publication |
1125 - 1129 |
a |
28.2529 ± 0.0011 Å |
b |
28.2529 ± 0.0011 Å |
c |
4.2504 ± 0.0003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3392.8 ± 0.3 Å3 |
Cell temperature |
123 ± 2 K |
Ambient diffraction temperature |
123 ± 2 K |
Number of distinct elements |
4 |
Space group number |
85 |
Hermann-Mauguin space group symbol |
P 4/n |
Hall space group symbol |
-P 4a |
Residual factor for all reflections |
0.0504 |
Residual factor for significantly intense reflections |
0.0381 |
Weighted residual factors for significantly intense reflections |
0.0947 |
Weighted residual factors for all reflections included in the refinement |
0.1049 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
Diffraction radiation wavelength |
1.54184 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/2242230.html