Information card for entry 2012927

Structure parameters

• Chemical name: benzyl 2-hydroxo-3,4-di-O-acetyl-β-D-fucopyranoside
• Formula: C17 H22 O7
• Calculated formula: C17 H22 O7
• SMILES: [C@@H]1([C@@H]([C@H]([C@H]([C@@H](C)O1)OC(=O)C)OC(=O)C)O)OCc1ccccc1
• Title of publication: A comparative analysis of mono- and disaccharide benzyl fucopyranosides
• Authors of publication: Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o537 - o539
• a: 8.735 ± 0.002 Å
• b: 9.526 ± 0.002 Å
• c: 10.605 ± 0.003 Å
• α: 90°
• β: 91 ± 0.02°
• γ: 90°
• Cell volume: 882.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes