Information card for entry 2221500
Chemical name |
14-(2,3-Dichlorophenyl)-9,10-dimethylbenzimidazo[1,2- <i>a</i>]benzo[<i>f</i>][1,8]naphthyridine-6-carbonitrile |
Formula |
C27 H16 Cl2 N4 |
Calculated formula |
C27 H16 Cl2 N4 |
SMILES |
Clc1c(Cl)cccc1c1nc2n3c(nc4c3cc(c(c4)C)C)c(C#N)cc2c2c1cccc2 |
Title of publication |
14-(2,3-Dichlorophenyl)-9,10-dimethylbenzimidazo[1,2-<i>a</i>]benzo[<i>f</i>][1,8]naphthyridine-6-carbonitrile |
Authors of publication |
Tarasov, Andrii V.; Volovnenko, Tatyana A.; Zubatyuk, Roman I.; Shishkin, Oleg V.; Volovenko, Yulian M. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o792 |
a |
8.5588 ± 0.0008 Å |
b |
11.0751 ± 0.0013 Å |
c |
12.2332 ± 0.0011 Å |
α |
76.985 ± 0.009° |
β |
75.986 ± 0.008° |
γ |
85.438 ± 0.009° |
Cell volume |
1095.8 ± 0.2 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 |
0.0722 |
Residual factor for significantly intense reflections |
0.0339 |
Weighted residual factors for significantly intense reflections |
0.0689 |
Weighted residual factors for all reflections included in the refinement |
0.072 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.008 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221500.html