Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038456
Preview
| Coordinates | 4038456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H14 F6 N2 O3 |
|---|---|
| Calculated formula | C24 H14 F6 N2 O3 |
| Title of publication | Three-Component Cascade Synthesis of Fully-substituted Trifluoromethyl Pyrroles via a Cu(II)/Rh(Ⅲ)-promoted aza-Michael Addition/Trifluoromethylation Cyclization/Oxidation Reaction. |
| Authors of publication | Ge, Junying; Ding, Qiuping; Wang, Xinhua; Peng, Yiyuan |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 18.6397 ± 0.0007 Å |
| b | 11.6276 ± 0.0006 Å |
| c | 20.5913 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4462.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1469 |
| Residual factor for significantly intense reflections | 0.1083 |
| Weighted residual factors for significantly intense reflections | 0.3634 |
| Weighted residual factors for all reflections included in the refinement | 0.3985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.466 |
| 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 |
|---|---|---|---|
| 252555 (current) | 2020-06-03 | cif/ Adding structures of 4038456 via cif-deposit CGI script. |
4038456.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.