Information card for entry 2205549
| Chemical name |
11-(4-chlorophenyl)-10-methyl-8-phenyl-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline |
| Formula |
C27 H20 Cl N3 |
| Calculated formula |
C27 H20 Cl N3 |
| SMILES |
Clc1ccc(c2c3c(nc4CCc5ccccc5c24)n(nc3C)c2ccccc2)cc1 |
| Title of publication |
11-(4-Chlorophenyl)-10-methyl-8-phenyl-6,8-dihydro-5<i>H</i>-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinoline |
| Authors of publication |
Serrano, Hugo; Quiroga, Jairo; Cobo, Justo; Low, John N.; Glidewell, Christopher |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2005 |
| Journal volume |
61 |
| Journal issue |
4 |
| Pages of publication |
o1058 - o1060 |
| a |
7.127 ± 0.0001 Å |
| b |
12.63 ± 0.0004 Å |
| c |
13.2847 ± 0.0004 Å |
| α |
107.338 ± 0.0013° |
| β |
103.623 ± 0.0017° |
| γ |
101.423 ± 0.0018° |
| Cell volume |
1061.98 ± 0.05 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 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 |
0.0589 |
| Residual factor for significantly intense reflections |
0.0412 |
| Weighted residual factors for significantly intense reflections |
0.1003 |
| Weighted residual factors for all reflections included in the refinement |
0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.079 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2205549.html
