Information card for entry 4113255

Structure parameters

• Formula: C13 H22 O6
• Calculated formula: C13 H22 O6
• SMILES: O1[C@](OC)([C@](O[C@H]2[C@H]1CC(=C[C@@H]2O)CO)(OC)C)C
• Title of publication: Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors
• Authors of publication: Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15990 - 15992
• a: 6.9969 ± 0.0004 Å
• b: 11.1153 ± 0.0006 Å
• c: 18.5163 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1440.06 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No