Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557051
Preview
| Coordinates | 1557051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | L-leucyl-L-leucine ethanol solvate |
|---|---|
| Formula | C14 H30 N2 O4 |
| Calculated formula | C14 H30 N2 O4 |
| Title of publication | Solvent Site Preferences in the Crystal Structures of L-Leucyl-L-leucine Alcohol (1:1) Complexes |
| Authors of publication | Gorbitz, Carl Henrik |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1998 |
| Journal volume | 52 |
| Pages of publication | 1343 - 1352 |
| a | 8.6634 ± 0.0002 Å |
| b | 24.0971 ± 0.0006 Å |
| c | 9.3265 ± 0.0002 Å |
| α | 90° |
| β | 115.379 ± 0.0004° |
| γ | 90° |
| Cell volume | 1759.12 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1624 |
| Residual factor for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections | 0.1447 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Goodness-of-fit parameter for all reflections | 1.062 |
| Goodness-of-fit parameter for significantly intense reflections | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246870 (current) | 2020-01-15 | cif/ Adding structures of 1557051 via cif-deposit CGI script. |
1557051.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.