Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519139
Preview
| Coordinates | 4519139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H25 F N2 O5 |
|---|---|
| Calculated formula | C26 H25 F N2 O5 |
| SMILES | Fc1cc2c(N(C(=O)OC34CC5CC(C3)CC(C4)C5)C(=O)[C@@]2(N(=O)=O)Cc2ccccc2)cc1 |
| Title of publication | Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues |
| Authors of publication | Lv, Mingjun; Li, Xiaoxun |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 14829 - 14835 |
| a | 8.7046 ± 0.0003 Å |
| b | 11.9983 ± 0.0004 Å |
| c | 11.516 ± 0.0004 Å |
| α | 90° |
| β | 100.577 ± 0.003° |
| γ | 90° |
| Cell volume | 1182.3 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1535 |
| Weighted residual factors for all reflections included in the refinement | 0.1627 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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 |
|---|---|---|---|
| 271020 (current) | 2021-12-03 | cif/ Adding structures of 4519139 via cif-deposit CGI script. |
4519139.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.