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Information card for entry 7232920
Preview
| Coordinates | 7232920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H30 Cl N5 O7 S |
|---|---|
| Calculated formula | C31 H30 Cl N5 O7 S |
| Title of publication | Piroxicam–clonixin drug–drug cocrystal solvates with enhanced hydration stability |
| Authors of publication | Li, Duanxiu; Li, Jiong; Deng, Zongwu; Zhang, Hailu |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 28 |
| Pages of publication | 4145 |
| a | 7.3032 ± 0.0005 Å |
| b | 14.0521 ± 0.0008 Å |
| c | 15.9432 ± 0.0011 Å |
| α | 69.237 ± 0.002° |
| β | 81.657 ± 0.002° |
| γ | 77.712 ± 0.002° |
| Cell volume | 1490.51 ± 0.17 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232920.cif |
| 223473 | 2019-11-07 | cif/ Updating files of 7232919, 7232920, 7232921, 7232922, 7232923 Original log message: Adding full bibliography for 7232919--7232923.cif. |
7232920.cif |
| 216433 | 2019-06-21 | cif/ Adding structures of 7232919, 7232920, 7232921, 7232922, 7232923 via cif-deposit CGI script. |
7232920.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.