Information card for entry 1574933

Structure parameters

• Chemical name: 2,3,4,6-Tetra-<i>O</i>-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-<i>D</i>-galactopyranose
• Formula: C17 H25 N O9 S2
• Calculated formula: C17 H25 N O9 S2
• Title of publication: 2,3,4,6-Tetra-O-acetyl-1-[(dimethylcarbamothioyl)sulfanyl]-β-D-galactopyranose
• Authors of publication: Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 6
• Pages of publication: x250544
• a: 7.28265 ± 0.0001 Å
• b: 8.6472 ± 0.00015 Å
• c: 34.8789 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196.48 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.9 ± 0.4 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: 0.0333
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No