Information card for entry 2206011
Chemical name |
11-(4-bromophenyl)-10-methyl-8-phenyl-6,8-dihydro-5H- benzo[f]pyrazolo[3,4-b]quinoline |
Formula |
C27 H20 Br N3 |
Calculated formula |
C27 H20 Br N3 |
SMILES |
Brc1ccc(c2c3c(nc4CCc5ccccc5c24)n(nc3C)c2ccccc2)cc1 |
Title of publication |
11-(4-Bromophenyl)-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 |
6 |
Pages of publication |
o1702 - o1703 |
a |
7.0237 ± 0.0003 Å |
b |
12.8964 ± 0.0007 Å |
c |
13.3517 ± 0.0007 Å |
α |
106.63 ± 0.003° |
β |
101.423 ± 0.003° |
γ |
102.274 ± 0.003° |
Cell volume |
1088.18 ± 0.1 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 |
0.102 |
Residual factor for significantly intense reflections |
0.0469 |
Weighted residual factors for significantly intense reflections |
0.0878 |
Weighted residual factors for all reflections included in the refinement |
0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2206011.html