Information card for entry 2203611
Chemical name |
2,3,4,6-Tetraphenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one |
Formula |
C29 H20 N4 O |
Calculated formula |
C29 H20 N4 O |
SMILES |
O=c1n(nc(c2c1nn(c2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication |
2,3,4,6-Tetraphenyl-2<i>H</i>-pyrazolo[3,4-<i>d</i>]pyridazin-7(6<i>H</i>)-one |
Authors of publication |
Dinçer, Muharrem; Özdemir, Namık; Yıldırım, İsmail; Demir, Elif; Akçamur, Yunus; Işık, Şamil |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
5 |
Pages of publication |
o807 - o809 |
a |
10.2616 ± 0.0012 Å |
b |
10.5057 ± 0.0012 Å |
c |
21.264 ± 0.002 Å |
α |
95.064 ± 0.009° |
β |
93.438 ± 0.009° |
γ |
102.158 ± 0.009° |
Cell volume |
2224.9 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.095 |
Residual factor for significantly intense reflections |
0.05 |
Weighted residual factors for significantly intense reflections |
0.0815 |
Weighted residual factors for all reflections included in the refinement |
0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.808 |
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/2203611.html