Information card for entry 2233634
Chemical name |
4-(4-Methoxyphenethyl)-3,5-diphenyl-4<i>H</i>-1,2,4-triazole |
Formula |
C23 H21 N3 O |
Calculated formula |
C23 H21 N3 O |
SMILES |
n1(c(nnc1c1ccccc1)c1ccccc1)CCc1ccc(OC)cc1 |
Title of publication |
4-(4-Methoxyphenethyl)-3,5-diphenyl-4<i>H</i>-1,2,4-triazole |
Authors of publication |
Anuradha, G.; Vasuki, G.; Ünlüer, Dilek; Birinci, Emrah |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
o392 |
a |
13.144 ± 0.005 Å |
b |
7.411 ± 0.005 Å |
c |
21.333 ± 0.005 Å |
α |
90 ± 0.005° |
β |
106.835 ± 0.005° |
γ |
90 ± 0.005° |
Cell volume |
1989 ± 1.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0602 |
Residual factor for significantly intense reflections |
0.0389 |
Weighted residual factors for significantly intense reflections |
0.1086 |
Weighted residual factors for all reflections included in the refinement |
0.1259 |
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 |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2233634.html