Information card for entry 2012928

Structure parameters

• Chemical name: O-(2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranosyl)- (1→2)-3,4-O-isopropylidene-β-D-fucopyranoside
• Formula: C33 H40 O12
• Calculated formula: C33 H40 O12
• SMILES: [C@@H]1([C@@H]([C@@H]2[C@H]([C@@H](C)O1)OC(C)(C)O2)O[C@H]1[C@@H]([C@H]([C@H]2[C@@H](CO[C@@H](c3ccccc3)O2)O1)OC(=O)C)OC(=O)C)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: 8.901 ± 0.001 Å
• b: 14.261 ± 0.001 Å
• c: 25.583 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3247.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No