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Information card for entry 7230482
Preview
| Coordinates | 7230482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Zonisamide:Caffeine |
|---|---|
| Formula | C16 H18 N6 O5 S |
| Calculated formula | C16 H18 N6 O5 S |
| Title of publication | Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms |
| Authors of publication | Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 21 |
| Pages of publication | 2923 |
| a | 9.5902 ± 0.0001 Å |
| b | 13.3084 ± 0.0001 Å |
| c | 14.2436 ± 0.0001 Å |
| α | 90° |
| β | 91.855 ± 0.001° |
| γ | 90° |
| Cell volume | 1816.96 ± 0.03 Å3 |
| Cell temperature | 297.3 ± 0.4 K |
| Ambient diffraction temperature | 297.3 ± 0.4 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1446 |
| Weighted residual factors for all reflections included in the refinement | 0.1446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7230482.cif |
| 229111 | 2019-11-17 | cif/ Updating files of 7230481, 7230482 Original log message: Adding full bibliography for 7230481--7230482.cif. |
7230482.cif |
| 207372 | 2018-04-17 | cif/ Adding structures of 7230481, 7230482 via cif-deposit CGI script. |
7230482.cif |
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Users of the data should acknowledge the original authors of the
structural data.