Information card for entry 7111079

Structure parameters

• Formula: C26 H37 N O9
• Calculated formula: C26 H37 N O9
• SMILES: N12O[C@@H]([C@H]3O[C@H](OC)[C@H]4OC(O[C@H]4[C@@H]3OCc3ccccc3)(C)C)C[C@@H]1[C@H]1OC(O[C@H]1[C@H](O)C2)(C)C
• Title of publication: Synthesis of aza-C-disaccharides using cycloaddition reactions of a functionalized cyclic nitrone
• Authors of publication: Duff, Fraser J.; Vivien, Vincent; Wightman, Richard H.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 2127
• a: 14.549 ± 0.004 Å
• b: 5.907 ± 0.002 Å
• c: 16.345 ± 0.006 Å
• α: 90°
• β: 105.78 ± 0.02°
• γ: 90°
• Cell volume: 1351.8 ± 0.8 ų
• Cell temperature: 293 ± 2 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: 0.1421
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No