Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7135130
Preview
| Coordinates | 7135130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H9 F0.5 N0.5 O1.5 |
|---|---|
| Calculated formula | C11 H9 F0.5 N0.5 O1.5 |
| Title of publication | Rh(III)-Catalyzed C–H activation/β-F elimination/Michael addition: diastereoselective access to dihydroisoquinolinones featuring β-amino α-fluorocarbonyl motif |
| Authors of publication | Wu, Jiaqiang; Lin, Wei; Luo, Zhengli; Zhu, Huixuan; Hu, Jinhui; Xiong, Zhuang |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 7.3449 ± 0.0001 Å |
| b | 9.4651 ± 0.0001 Å |
| c | 25.5608 ± 0.0003 Å |
| α | 90° |
| β | 93.017 ± 0.001° |
| γ | 90° |
| Cell volume | 1774.53 ± 0.04 Å3 |
| Cell temperature | 299.19 ± 0.1 K |
| Ambient diffraction temperature | 299.19 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303109 (current) | 2025-10-31 | cif/ Adding structures of 7135129, 7135130 via cif-deposit CGI script. |
7135130.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.