Information card for entry 2220375

Structure parameters

• Chemical name: 2,3,4,6-Tetra-<i>O</i>-acetyl-β-D-galactopyranosyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-D-glucopyranosyl disulfide tetrahydrofuran solvate
• Formula: C32 H46 O19 S2
• Calculated formula: C32 H46 O19 S2
• SMILES: C1CCCO1.CC(=O)OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl disulfide tetrahydrofuran solvate
• Authors of publication: Brito, Iván; Szilágyi, Lászlo; López-Rodríguez, Matías
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2472 - o2473
• a: 14.6499 ± 0.0014 Å
• b: 10.0096 ± 0.001 Å
• c: 15.4029 ± 0.0015 Å
• α: 90°
• β: 113.573 ± 0.002°
• γ: 90°
• Cell volume: 2070.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes