Information card for entry 4118607

Structure parameters

• Chemical name: (2R,4aR,5aR,9aS,10S,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine
• Formula: C24 H26 O5
• Calculated formula: C24 H26 O5
• SMILES: O1[C@H]2[C@@H](OCC(=C)C2)[C@@H](OCc2ccccc2)[C@@H]2O[C@@H](OC[C@@H]12)c1ccccc1
• Title of publication: Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion
• Authors of publication: Min Huang; Pascal Retailleau; Luis Bohé; David Crich
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 14746 - 14749
• a: 15.406 ± 0.003 Å
• b: 28.983 ± 0.005 Å
• c: 4.5886 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.9 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No