Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157200
Preview
| Coordinates | 7157200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 Cl F3 N |
|---|---|
| Calculated formula | C19 H13 Cl F3 N |
| Title of publication | Synthesis of meta-Substituted Anilines via Three-Component Reaction of Acetone, Amines, and 1,3-Diketones |
| Authors of publication | Galeev, Andrew R.; Mokrushin, Ivan G.; Dmitriev, Maksim V.; Mashevskaya, Irina V.; Maslivets, Andrey N.; Rubin, Michael |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 19.452 ± 0.007 Å |
| b | 16.461 ± 0.007 Å |
| c | 10.122 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3241 ± 2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295.15 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1124 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227690 (current) | 2019-11-13 | cif/ Adding structures of 7157198, 7157199, 7157200, 7157201, 7157202 via cif-deposit CGI script. |
7157200.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.