Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129452
Preview
Coordinates | 7129452.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3j-1 |
---|---|
Formula | C11 H10 Cl0.08 N O |
Calculated formula | C5.53846 H3.69231 Cl0.307692 N0.307692 O0.307692 |
Title of publication | Coordination Effect Enabled Palladium-Catalyzed Regioselective O-Alkylation of 2-Pyridones |
Authors of publication | Lu, Zhiqiang; li, yanzhi; ru, yi; yang, shujian; hao, chu; zuo, mengke; jiao, rongkai; Wu, Weilong; Zhou, Yan; Yao, Hui; huang, nianyu; Fu, Yuqin |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 10.7326 ± 0.0005 Å |
b | 16.1644 ± 0.0007 Å |
c | 9.2583 ± 0.0005 Å |
α | 90° |
β | 115.115 ± 0.007° |
γ | 90° |
Cell volume | 1454.33 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0727 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7129452.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.