Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134809
Preview
| Coordinates | 7134809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 O P |
|---|---|
| Calculated formula | C20 H15 O P |
| Title of publication | Electrochemical Phosphorylation of α, β-Unsaturated Carboxylic Acids via Decarboxylative Cross-Coupling Reaction |
| Authors of publication | Zhang, Zhaoqi; Shen, Yirui; Zhao, Yufen; Wu, Ju |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 11.7526 ± 0.0009 Å |
| b | 16.3049 ± 0.0015 Å |
| c | 16.4854 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3159 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300349 (current) | 2025-07-05 | cif/ Adding structures of 7134808, 7134809 via cif-deposit CGI script. |
7134809.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.