Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130883
Preview
| Coordinates | 7130883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H19 F3 O |
|---|---|
| Calculated formula | C23 H19 F3 O |
| SMILES | FC(F)(F)C(O)(c1ccccc1)C/C=C/c1ccc(c2ccccc2)cc1 |
| Title of publication | Palladium-Catalyzed Oxidative Heck Reaction of Non-activated Alkenes Directed by Fluorinated Alcohol |
| Authors of publication | Zhu, Baiyao; Li, Zhewei; Chen, Fulin; Xiong, Wenfang; Tan, Xiaobin; Lei, Ming; Jiang, Huanfeng; Wu, Wanqing |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 18.1043 ± 0.0013 Å |
| b | 5.8211 ± 0.0004 Å |
| c | 16.8027 ± 0.0012 Å |
| α | 90° |
| β | 98.663 ± 0.007° |
| γ | 90° |
| Cell volume | 1750.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 4 |
| 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.0555 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278669 (current) | 2022-10-21 | cif/ Adding structures of 7130883 via cif-deposit CGI script. |
7130883.cif |
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.