Information card for entry 2234225
Chemical name |
3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile |
Formula |
C20 H13 N3 S |
Calculated formula |
C19.996 H13 N3 S |
SMILES |
N#Cc1c2c(CCc3c2cccc3)c(c(c1N)C#N)c1cccs1 |
Title of publication |
3-Amino-1-(thiophen-2-yl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile |
Authors of publication |
Al-Youbi, Abdulrahman O.; Asiri, Abdullah M.; Faidallah, Hassan M.; Ng, Seik Weng; Tiekink, Edward R. T. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
4 |
Pages of publication |
o1027 - o1028 |
a |
9.7882 ± 0.001 Å |
b |
7.1199 ± 0.0007 Å |
c |
22.746 ± 0.003 Å |
α |
90° |
β |
93.171 ± 0.011° |
γ |
90° |
Cell volume |
1582.8 ± 0.3 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.1148 |
Residual factor for significantly intense reflections |
0.0664 |
Weighted residual factors for significantly intense reflections |
0.1341 |
Weighted residual factors for all reflections included in the refinement |
0.1639 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.027 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2234225.html