Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557641
Preview
| Coordinates | 1557641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chloroquine Diphosphate Hydrate |
|---|---|
| Formula | C18 H32 Cl N3 O9 P2 |
| Calculated formula | C18 H33 Cl N3 O9.19 P2 |
| Title of publication | N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine. An X-Ray Diffraction Study of Chloroquine Diphosphate Hydrate |
| Authors of publication | Furuseth, S.; Karlsen, J.; Mostad, A.; Romming, C.; Salmen, R.; Tonnesen, H. H. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1990 |
| Journal volume | 44 |
| Pages of publication | 741 - 745 |
| a | 9.719 ± 0.003 Å |
| b | 16.813 ± 0.004 Å |
| c | 15.659 ± 0.002 Å |
| α | 90° |
| β | 105.16 ± 0.02° |
| γ | 90° |
| Cell volume | 2469.7 ± 1 Å3 |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.19 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259890 (current) | 2020-12-15 | cif/ Updating files of 1557641 Original log message: Year is 1990 not 1996 |
1557641.cif |
| 249608 | 2020-03-22 | cif/ Adding structures of 1557641 via cif-deposit CGI script. |
1557641.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.