Information card for entry 1507284

Structure parameters

• Formula: C16 H25 N O6
• Calculated formula: C16 H25 N O6
• SMILES: N12O[C@@H]3[C@H]4OC[C@H](O4)[C@H](OC(=O)C)[C@@H]3[C@H]1[C@H](OC(C)(C)C)CC2
• Title of publication: Nitrone cycloadditions to isolevoglucosenone: ready access to a new class of directly linked (1‒>3)-imino-C-disaccharides.
• Authors of publication: Cardona, Francesca; Goti, Andrea; Brandi, Alberto
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1475 - 1478
• a: 5.593 Å
• b: 8.325 Å
• c: 36.586 ± 0.001 Å
• α: 90 ± 0.002°
• β: 90 ± 0.003°
• γ: 90 ± 0.004°
• Cell volume: 1703.51 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No