Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038726
Preview
Coordinates | 4038726.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H64 Cl6 N2 Pd |
---|---|
Calculated formula | C80 H64 Cl6 N2 Pd |
Title of publication | "Bulky-Yet-Flexible" α-Diimine Palladium-Catalyzed Reductive Heck Cross-Coupling: Highly Anti-Markovnikov-Selective Hydroarylation of Alkene in Air. |
Authors of publication | Yang, Xu-Wen; Li, Dong-Hui; Song, A-Xiang; Liu, Feng-Shou |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 12.0249 ± 0.0009 Å |
b | 14.3002 ± 0.0004 Å |
c | 21.4777 ± 0.0005 Å |
α | 96.356 ± 0.002° |
β | 92.889 ± 0.005° |
γ | 91.174 ± 0.005° |
Cell volume | 3664.6 ± 0.3 Å3 |
Cell temperature | 100.02 ± 0.1 K |
Ambient diffraction temperature | 100.02 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0951 |
Residual factor for significantly intense reflections | 0.0833 |
Weighted residual factors for significantly intense reflections | 0.1504 |
Weighted residual factors for all reflections included in the refinement | 0.205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038726.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.