Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160505
Preview
| Coordinates | 7160505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H27 N O6 |
|---|---|
| Calculated formula | C20 H27 N O6 |
| Title of publication | Synthesis of 2-Acetylnoviosamine by Hydrogenolytic Cleavage of a Spirocyclopropane |
| Authors of publication | Salim, Maruan David; Ferrara, Isabella; Blacque, Olivier; Gademann, Karl |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.5296 ± 0.0002 Å |
| b | 9.5745 ± 0.0002 Å |
| c | 45.0172 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4107.42 ± 0.14 Å3 |
| Cell temperature | 160 ± 0.1 K |
| Ambient diffraction temperature | 160 ± 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299324 (current) | 2025-04-18 | cif/ Adding structures of 7160505, 7160506 via cif-deposit CGI script. |
7160505.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.