Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101655
Preview
| Coordinates | 8101655.cif |
|---|
| Formula | C11 H19 N O3 |
|---|---|
| Calculated formula | C11 H19 N O5 |
| SMILES | [C@@H]1(C[C@@H](O[C@@H](C)[C@@H]1OC(=O)C)OC)NC(=O)C |
| Title of publication | Crystal structure of methyl <i>N</i>,<i>O</i>-diacetyl-<i>α </i>-L-acosaminide, C~11~H~19~NO~5~ |
| Authors of publication | Henkel, Sonja; Menzel, Andreas; Jäger, Volker |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1998 |
| Journal volume | 213 |
| Journal issue | 4 |
| Pages of publication | 795 - 796 |
| a | 5.021 ± 0.001 Å |
| b | 12.857 ± 0.002 Å |
| c | 20.978 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1354.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Version history is temporarily not available due to server issues.
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.