Information card for entry 7157828

Structure parameters

• Formula: C9 H11 N O5
• Calculated formula: C9 H11 N O5
• SMILES: O=C1OC[C@H]2N1[C@H](C[C@@H]1O[C@H]21)C(=O)OC
• Title of publication: A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.
• Authors of publication: Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 1083 - 1099
• a: 8.3 ± 0.002 Å
• b: 6.2591 ± 0.0006 Å
• c: 9.34 ± 0.002 Å
• α: 90°
• β: 108.02 ± 0.02°
• γ: 90°
• Cell volume: 461.42 ± 0.16 ų
• Cell temperature: 80 ± 2 K
• Ambient diffraction temperature: 80 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No