Information card for entry 2023191

Structure parameters

• 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 ų
• 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