Information card for entry 7129220
| Formula |
C11 H14 Cl2 N6 O2 Pd |
| Calculated formula |
C11 H14 Cl2 N6 O2 Pd |
| SMILES |
[Pd](Cl)(Cl)([N]#CC)=C1N(C=CN1C)c1nc(OC)nc(OC)n1 |
| 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 |
7.3845 ± 0.0004 Å |
| b |
10.3301 ± 0.0006 Å |
| c |
10.8624 ± 0.0006 Å |
| α |
75.103 ± 0.001° |
| β |
86.49 ± 0.001° |
| γ |
88.625 ± 0.001° |
| Cell volume |
799.23 ± 0.08 Å3 |
| Cell temperature |
153 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 |
0.0242 |
| Residual factor for significantly intense reflections |
0.0242 |
| Weighted residual factors for significantly intense reflections |
0.0627 |
| Weighted residual factors for all reflections included in the refinement |
0.0627 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.115 |
| 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/7129220.html
