Information card for entry 1553448
| Formula |
C23 H21 F N4 |
| Calculated formula |
C23 H21 F N4 |
| SMILES |
Fc1ccc(c2nn(nc2)CN(Cc2ccccc2)Cc2ccccc2)cc1 |
| Title of publication |
Base-induced synthesis of N-dialkylaminomethyl-2H-1,2,3-triazoles from N-sulfonyl-1,2,3-triazoles |
| Authors of publication |
Jiang, Yu; Wang, Qiang; Sun, Run; Tang, Xiang-Ying; Shi, Min |
| Journal of publication |
Organic Chemistry Frontiers |
| Year of publication |
2016 |
| Journal volume |
3 |
| Journal issue |
6 |
| Pages of publication |
744 |
| a |
10.5273 ± 0.0012 Å |
| b |
11.4221 ± 0.0014 Å |
| c |
34.217 ± 0.004 Å |
| α |
90.072 ± 0.003° |
| β |
98.137 ± 0.003° |
| γ |
105.697 ± 0.003° |
| Cell volume |
3917.7 ± 0.8 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 |
0.1396 |
| Residual factor for significantly intense reflections |
0.0679 |
| Weighted residual factors for significantly intense reflections |
0.1742 |
| Weighted residual factors for all reflections included in the refinement |
0.2272 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.958 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1553448.html
