Information card for entry 2015013
Chemical name |
10-methyl-8-phenyl-11-(4-pyridyl)-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline |
Formula |
C26 H20 N4 |
Calculated formula |
C26 H20 N4 |
SMILES |
n1c2c(c3ccccc3CC2)c(c2c1n(nc2C)c1ccccc1)c1ccncc1 |
Title of publication |
Two isomeric 10-methyl-8-phenyl-11-pyridyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines: cyclic hydrogen-bonded tetramers <i>versus</i> isolated molecules |
Authors of publication |
Portilla, Jaime; Serrano, Hugo; Cobo, Justo; Low, John N.; Glidewell, Christopher |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
8 |
Pages of publication |
o490 - o492 |
a |
18.6288 ± 0.0008 Å |
b |
19.1956 ± 0.0008 Å |
c |
10.8885 ± 0.0003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3893.6 ± 0.3 Å3 |
Cell temperature |
120 ± 2 K |
Ambient diffraction temperature |
120 ± 2 K |
Number of distinct elements |
3 |
Space group number |
18 |
Hermann-Mauguin space group symbol |
P 21 21 2 |
Hall space group symbol |
P 2 2ab |
Residual factor for all reflections |
0.1002 |
Residual factor for significantly intense reflections |
0.0647 |
Weighted residual factors for significantly intense reflections |
0.1372 |
Weighted residual factors for all reflections included in the refinement |
0.1519 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.062 |
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/2015013.html