Information card for entry 2233885
Chemical name |
1,5-Diamino-2,6-dibromo-9,10-anthraquinone |
Formula |
C14 H8 Br2 N2 O2 |
Calculated formula |
C14 H8 Br2 N2 O2 |
SMILES |
O=C1c2ccc(c(c2C(=O)c2c1c(N)c(cc2)Br)N)Br |
Title of publication |
1,5-Diamino-2,6-dibromo-9,10-anthraquinone |
Authors of publication |
Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
3 |
Pages of publication |
o838 |
a |
4.4177 ± 0.0001 Å |
b |
6.224 ± 0.0002 Å |
c |
11.841 ± 0.0003 Å |
α |
94.455 ± 0.002° |
β |
99.97 ± 0.002° |
γ |
100.859 ± 0.002° |
Cell volume |
312.865 ± 0.015 Å3 |
Cell temperature |
153 ± 2 K |
Ambient diffraction temperature |
153 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0286 |
Residual factor for significantly intense reflections |
0.0256 |
Weighted residual factors for significantly intense reflections |
0.0693 |
Weighted residual factors for all reflections included in the refinement |
0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.959 |
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/2233885.html