Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233540
Preview
| Coordinates | 7233540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Synephrine-DL-Malic acid 1:0.5 salt |
|---|---|
| Formula | C11 H15.5 N O4.5 |
| Calculated formula | C11 H15.5 N O4.5 |
| Title of publication | Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment. |
| Authors of publication | Dash, Sibananda G.; Thakur, Tejender S. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2019 |
| a | 5.7487 ± 0.0003 Å |
| b | 8.9795 ± 0.0005 Å |
| c | 11.6493 ± 0.0006 Å |
| α | 100.209 ± 0.005° |
| β | 90.688 ± 0.004° |
| γ | 106.188 ± 0.005° |
| Cell volume | 567.16 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.1675 |
| Weighted residual factors for all reflections included in the refinement | 0.1913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217820 (current) | 2019-08-29 | cif/ Adding structures of 7233533, 7233534, 7233535, 7233536, 7233537, 7233538, 7233539, 7233540, 7233541, 7233542, 7233543 via cif-deposit CGI script. |
7233540.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.