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Information card for entry 7233209
Preview
| Coordinates | 7233209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | tenoxicam chloroform II solvate |
|---|---|
| Formula | C15 H13 Cl6 N3 O4 S2 |
| Calculated formula | C15 H13 Cl6 N3 O4 S2 |
| Title of publication | The role of S-bond in tenoxicam keto–enolic tautomerization |
| Authors of publication | Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 36 |
| Pages of publication | 5392 |
| a | 9.596 ± 0.0019 Å |
| b | 16.74 ± 0.003 Å |
| c | 28.301 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4546.2 ± 1.6 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0869 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1623 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.7937 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7233209.cif |
| 223698 | 2019-11-07 | cif/ Updating files of 7233208, 7233209, 7233210, 7233211, 7233212, 7233213 Original log message: Adding full bibliography for 7233208--7233213.cif. |
7233209.cif |
| 217165 | 2019-07-19 | cif/ Adding structures of 7233208, 7233209, 7233210, 7233211, 7233212, 7233213 via cif-deposit CGI script. |
7233209.cif |
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Users of the data should acknowledge the original authors of the
structural data.