Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7157304
Preview
| Coordinates | 7157304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H21 N O7 |
|---|---|
| Calculated formula | C20 H21 N O7 |
| Title of publication | Substituent-controlled chemoselective synthesis of multi-substituted pyridones via a one-pot three-component cascade reaction. |
| Authors of publication | Liu, Shitao; Li, Jisen; Lin, Junjie; Liu, Fujun; Liu, Teng; Huang, Chao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1130 - 1134 |
| a | 20.3966 ± 0.0005 Å |
| b | 5.584 ± 0.0001 Å |
| c | 17.313 ± 0.0004 Å |
| α | 90° |
| β | 108.569 ± 0.001° |
| γ | 90° |
| Cell volume | 1869.2 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157304.cif |
| 249038 | 2020-03-05 | cif/ Updating files of 7157304 Original log message: Adding full bibliography for 7157304.cif. |
7157304.cif |
| 246728 | 2020-01-11 | cif/ Adding structures of 7157304 via cif-deposit CGI script. |
7157304.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.