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Information card for entry 2244053
Preview
| Coordinates | 2244053.cif |
|---|---|
| Structure factors | 2244053.hkl |
| Original paper (by DOI) | HTML |
| Common name | Ceftibuten 2.652-hydrate |
|---|---|
| Chemical name | (6<i>R</i>,7<i>R</i>)-7-{[(<i>Z</i>)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2.652-hydrate |
| Formula | C15 H19.3 N4 O8.65 S2 |
| Calculated formula | C15 H19.304 N4 O8.652 S2 |
| Title of publication | Crystal structures of anhydrous and hydrated ceftibuten |
| Authors of publication | Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 4.669 ± 0.0001 Å |
| b | 17.8029 ± 0.0004 Å |
| c | 23.1486 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1924.15 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273641 (current) | 2022-03-11 | cif/ hkl/ Adding structures of 2244052, 2244053 via cif-deposit CGI script. |
2244053.cif 2244053.hkl |
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Users of the data should acknowledge the original authors of the
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