Information card for entry 2221729
Chemical name |
3,6-Dimethyl-1-phenyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,6,7,8-tetrahydro- 1<i>H</i>-pyrazolo[3,4-<i>b</i>][1,6]naphthyridine |
Formula |
C26 H22 N4 S2 |
Calculated formula |
C26 H22 N4 S2 |
SMILES |
s1c(/C=C\2c3nc4n(nc(c4c(c3CN(C2)C)c2sccc2)C)c2ccccc2)ccc1 |
Title of publication |
3,6-Dimethyl-1-phenyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,6,7,8-tetrahydro-1<i>H</i>-pyrazolo[3,4-<i>b</i>][1,6]naphthyridine |
Authors of publication |
Peng, Juhua; Han, Zhengguo; Ma, Ning; Tu, Shujiang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o1109 - o1110 |
a |
10.7187 ± 0.0016 Å |
b |
10.9704 ± 0.0019 Å |
c |
11.153 ± 0.002 Å |
α |
109.785 ± 0.002° |
β |
102.364 ± 0.001° |
γ |
104.201 ± 0.001° |
Cell volume |
1131.1 ± 0.3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 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 |
0.0983 |
Residual factor for significantly intense reflections |
0.0574 |
Weighted residual factors for significantly intense reflections |
0.1549 |
Weighted residual factors for all reflections included in the refinement |
0.1764 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.997 |
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/2221729.html