Information card for entry 2023192

Structure parameters

• Chemical name: 2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl <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: 10.10503 ± 0.00014 Å
• b: 14.5978 ± 0.0002 Å
• c: 16.4256 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2422.96 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0843
• 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: No
• Has Fobs: No