Information card for entry 2004931

Structure parameters

• Chemical name: 1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-β-D-ribo-hexopyranose
• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O1[C@@H]2O[C@@H]([C@@](OCc3ccccc3)(C[C@H]2OC)C)C1
• Title of publication: (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane
• Authors of publication: Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1274 - 1277
• a: 5.934 ± 0.003 Å
• b: 6.907 ± 0.003 Å
• c: 32.751 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1342.3 ± 1.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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 all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1374
• Weighted residual factors for significantly intense reflections: 0.1131
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No