Information card for entry 7129223
| Formula |
C25 H22 Cl2 N6 O Pd |
| Calculated formula |
C25 H22 Cl2 N6 O Pd |
| SMILES |
[Pd](Cl)(Cl)([n]1ccccc1)=C1N(C=CN1C)c1nc(nc(n1)c1ccccc1)c1ccc(OC)cc1 |
| Title of publication |
Triazine-wingtips accelerated NHC-Pd catalysed carbonylative Sonogashira cross-coupling reaction |
| Authors of publication |
Zhang, Kan; Yao, Yanxiu; Sun, Winjin; Wen, Rui; Wang, Yanyan; Sun, Huaming; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei |
| Journal of publication |
Chemical Communications |
| Year of publication |
2021 |
| a |
8.7459 ± 0.0005 Å |
| b |
12.3604 ± 0.0006 Å |
| c |
12.4452 ± 0.0007 Å |
| α |
75.518 ± 0.002° |
| β |
70.882 ± 0.002° |
| γ |
89.938 ± 0.002° |
| Cell volume |
1225.96 ± 0.12 Å3 |
| Cell temperature |
152.99 K |
| Ambient diffraction temperature |
152.99 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0284 |
| Residual factor for significantly intense reflections |
0.0281 |
| Weighted residual factors for significantly intense reflections |
0.0794 |
| Weighted residual factors for all reflections included in the refinement |
0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.09 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7129223.html
