Information card for entry 2204034

Structure parameters

• Formula: C22 H24 N2 O10 S
• Calculated formula: C22 H24 N2 O10 S
• SMILES: S([C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)c1oc(nn1)c1ccccc1
• Title of publication: 5-Phenyl-1,3,4-dioxazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-D-glucopyranoside
• Authors of publication: Zao-Zao Qiu; Peng-Fei Xu
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1364 - o1365
• a: 11.5 ± 0.02 Å
• b: 7.35 ± 0.01 Å
• c: 14.3 ± 0.02 Å
• α: 90°
• β: 92.42 ± 0.02°
• γ: 90°
• Cell volume: 1208 ± 3 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No