Information card for entry 7152424

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: c1(c2ccccc2ccc1O)[C@H]1C=C[C@@H]([C@@H](COC(=O)C)O1)OC(=O)C
• Title of publication: Aluminium triflate catalysed O-glycosidation: temperature-switched selective Ferrier rearrangement or direct addition with alcohols.
• Authors of publication: Williams, D Bradley G; Simelane, Sandile B.; Kinfe, Henok H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 29
• Pages of publication: 5636 - 5642
• a: 25.7271 ± 0.0018 Å
• b: 5.6497 ± 0.0004 Å
• c: 13.2772 ± 0.0009 Å
• α: 90°
• β: 112.41 ± 0.001°
• γ: 90°
• Cell volume: 1784.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No