Information card for entry 4114815

Structure parameters

• Formula: C32 H26 O8 S
• Calculated formula: C32 H26 O8 S
• Title of publication: Stereoselective Formation of Glycosyl Sulfoxides and Their Subsequent Equilibration: Ring Inversion of an α-Xylopyranosyl Sulfoxide Dependent on the Configuration at Sulfur
• Authors of publication: David Crich; Jan Mataka; Lev N. Zakharov; Arnold L. Rheingold; Donald J. Wink
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6028 - 6036
• a: 14.0562 ± 0.0014 Å
• b: 5.4159 ± 0.0006 Å
• c: 18.8953 ± 0.0016 Å
• α: 90 ± 0.008°
• β: 111.635 ± 0.008°
• γ: 90 ± 0.008°
• Cell volume: 1337.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections: 3.547
• Goodness-of-fit parameter for significantly intense reflections: 3.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No