Information card for entry 2220737
Chemical name |
1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-cde]cinnoline |
Formula |
C12 H12 N4 |
Calculated formula |
C12 H12 N4 |
SMILES |
C1Cc2nnc3c4c2c(C1)nnc4CCC3 |
Title of publication |
1,2,3,6,7,8-Hexahydrocinnolino[5,4,3-<i>cde</i>]cinnoline |
Authors of publication |
Gao, Zhi-Qiang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
2 |
Pages of publication |
o239 |
a |
9.698 ± 0.005 Å |
b |
5.875 ± 0.003 Å |
c |
10.023 ± 0.005 Å |
α |
90° |
β |
117.314 ± 0.006° |
γ |
90° |
Cell volume |
507.4 ± 0.4 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
3 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0712 |
Residual factor for significantly intense reflections |
0.041 |
Weighted residual factors for significantly intense reflections |
0.1007 |
Weighted residual factors for all reflections included in the refinement |
0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.013 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2220737.html