Information card for entry 4113005

Structure parameters

• Chemical name: Methyl-3,6-anhydro-2,4-di-O-benzyl-α-D-glucopyranoside
• Formula: C21 H24 O5
• Calculated formula: C21 H24 O5
• Title of publication: Conformational Effects on Glycoside Reactivity: Study of the High Reactive Conformer of Glucose
• Authors of publication: Ciaran McDonnell; Oscar López; Paul Murphy; José G. Fernández Bolaños; Rita Hazell; Mikael Bols
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 12374 - 12385
• a: 39.105 ± 0.008 Å
• b: 5.615 ± 0.001 Å
• c: 16.609 ± 0.003 Å
• α: 90°
• β: 97.007 ± 0.005°
• γ: 90°
• Cell volume: 3619.7 ± 1.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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 significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No