Information card for entry 2017569

Structure parameters

• Common name: Compound 2
• Chemical name: 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranosyl-(1→4)-\ 2,3,6-tri-<i>O</i>-acetyl-1-fluoro-α-D-glucopyranose
• Formula: C26 H35 F O17
• Calculated formula: C26 H35 F O17
• SMILES: [C@@H]1(F)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](O[C@@H]2[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O2)COC(=O)C)[C@H](O1)COC(=O)C
• Title of publication: Peracetylated α-<small>D</small>-glucopyranosyl fluoride and peracetylated α-maltosyl fluoride
• Authors of publication: Dedola, Simone; Hughes, David L.; Field, Robert A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o124 - o127
• a: 5.63832 ± 0.00009 Å
• b: 18.2908 ± 0.0003 Å
• c: 14.8144 ± 0.0002 Å
• α: 90°
• β: 94.4966 ± 0.0015°
• γ: 90°
• Cell volume: 1523.1 ± 0.04 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.063
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes