Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566806
Preview
| Coordinates | 1566806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 N O6 |
|---|---|
| Calculated formula | C19 H19 N O6 |
| SMILES | O(C(=O)N1[C@@H]2[C@@]3(C=C[C@@H](OC3=O)[C@@H]2CC1)C(=O)OC)Cc1ccccc1 |
| Title of publication | Enantioselective Construction of cis-Hydroindole Scaffolds via Asymmetric Inverse-Electron-Demand Diels–Alder Reaction: Application to the Formal Total Synthesis of (+)-Minovincine |
| Authors of publication | Zhang, Fangqing; Ren, Bing-Tao; Zhou, Yuqiao; Liu, Yangbin; Feng, Xiaoming |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 8.7619 ± 0.0001 Å |
| b | 9.0395 ± 0.0001 Å |
| c | 21.2088 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1679.8 ± 0.04 Å3 |
| Cell temperature | 179.99 ± 0.1 K |
| Ambient diffraction temperature | 179.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274557 (current) | 2022-04-16 | cif/ Adding structures of 1566806 via cif-deposit CGI script. |
1566806.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.