Information card for entry 4113257

Structure parameters

• Formula: C13 H20 Cl N O5
• Calculated formula: C13 H20 Cl N O5
• SMILES: N(C(=O)O[C@@H]1[C@@H](Cl)C=C2COC(O[C@H]2[C@@H]1O)(C)C)(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: 10.73 ± 0.005 Å
• b: 10.766 ± 0.005 Å
• c: 52.83 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6103 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No