Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160428
Preview
| Coordinates | 7160428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H80 Cl4 F12 N4 O4 |
|---|---|
| Calculated formula | C68 H80 Cl4 F12 N4 O4 |
| Title of publication | Three-Component Minisci Reaction Involving Trifluoromethyl Radical Promoted by TBHP |
| Authors of publication | Zhang, Xiaole; Wang, Wengui; Wang, Shoufeng |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.563 ± 0.002 Å |
| b | 17.298 ± 0.003 Å |
| c | 11.84 ± 0.002 Å |
| α | 90 ± 0.03° |
| β | 92.17 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 1752.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.104 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1859 |
| Weighted residual factors for all reflections included in the refinement | 0.2085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298513 (current) | 2025-03-19 | cif/ Adding structures of 7160428 via cif-deposit CGI script. |
7160428.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.