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Information card for entry 7226788
Preview
| Coordinates | 7226788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H37 N3 O4 S |
|---|---|
| Calculated formula | C28 H37 N3 O4 S |
| SMILES | S1(=O)([O-])=NC(=O)c2ccccc12.O[C@]1(CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH][nH+]cc5C[C@@]4([C@H]3CC[C@]12C)C)C |
| Title of publication | Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability |
| Authors of publication | Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 45 |
| Pages of publication | 8739 |
| a | 7.8028 ± 0.0006 Å |
| b | 17.6121 ± 0.0012 Å |
| c | 18.6177 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2558.5 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
7226788.cif |
| 190081 | 2017-01-09 | cif/ Updating files of 7226788, 7226789 Original log message: Adding full bibliography for 7226788--7226789.cif. |
7226788.cif |
| 187306 | 2016-10-13 | cif/ Adding structures of 7226788, 7226789 via cif-deposit CGI script. |
7226788.cif |
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Users of the data should acknowledge the original authors of the
structural data.