Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160516
Preview
| Coordinates | 7160516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H25 N O6 |
|---|---|
| Calculated formula | C22 H25 N O6 |
| Title of publication | Constructing chiral bicyclo[3.2.1]octanes via low-loading organocatalysis |
| Authors of publication | Ashok, Etikala; Lakshmi, Pandhiti R.; Sravanthi, Revoju; Ramachary, Dhevalapally B. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 10.5076 ± 0.0006 Å |
| b | 12.7385 ± 0.0007 Å |
| c | 15.5696 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2084 ± 0.2 Å3 |
| Cell temperature | 298.23 K |
| Ambient diffraction temperature | 298.23 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 | 0.1039 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1628 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299392 (current) | 2025-04-25 | cif/ Adding structures of 7160515, 7160516, 7160517 via cif-deposit CGI script. |
7160516.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.