Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7224755
Preview
| Coordinates | 7224755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Oxaprozin-Salbutamol |
|---|---|
| Chemical name | 1:1 Salt of Oxaprozin and Salbutamol |
| Formula | C31 H36 N2 O6 |
| Calculated formula | C31 H36 N2 O6 |
| SMILES | Oc1ccc(cc1CO)C(O)C[NH2+]C(C)(C)C.[O-]C(=O)CCc1oc(c(n1)c1ccccc1)c1ccccc1 |
| Title of publication | Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol |
| Authors of publication | Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.453 ± 0.002 Å |
| b | 10.627 ± 0.002 Å |
| c | 13.379 ± 0.003 Å |
| α | 76.02 ± 0.03° |
| β | 69.82 ± 0.03° |
| γ | 88.05 ± 0.03° |
| Cell volume | 1351.7 ± 0.6 Å3 |
| Cell temperature | 110.15 K |
| Ambient diffraction temperature | 110.15 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.1892 |
| Weighted residual factors for all reflections included in the refinement | 0.1956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224755.cif |
| 180648 | 2016-03-31 | cif/ Adding structures of 7224754, 7224755, 7224756, 7224757, 7224758, 7224759 via cif-deposit CGI script. |
7224755.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.