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Information card for entry 2023191
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| Coordinates | 2023191.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranosyl <i>N</i>'-cyano-<i>N</i>-phenylcarbamimidothioate |
|---|---|
| Formula | C22 H25 N3 O9 S |
| Calculated formula | C22 H25 N3 O9 S |
| Title of publication | Crystal structures of four thioglycosides involving carbamimidothioate groups |
| Authors of publication | Abu-Zaied, Mamdouh A.; Nawwar, Galal A.; Elgemeie, Galal H.; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 8 |
| a | 7.11266 ± 0.00011 Å |
| b | 13.765 ± 0.00018 Å |
| c | 24.385 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2387.43 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.9 ± 0.8 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 | 0.0329 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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