Information card for entry 7151469

Structure parameters

• Formula: C10 H15 Br Cl N O4
• Calculated formula: C10 H15 Br Cl N O4
• SMILES: [Cl-].[NH2+]1[C@@H]([C@@H](OC(=O)C)C=C(Br)C1)COC(=O)C
• Title of publication: Preparation and reactivity of imino glycals: stereocontrolled, divergent approach to imino sugars
• Authors of publication: Paul J. Dransfield; Paul M. Gore; Ivan Prokeš; Michael Shipman; Alexandra M. Z. Slawin
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 15
• Pages of publication: 2723 - 2733
• a: 6.9448 ± 0.0005 Å
• b: 20.84 ± 0.0015 Å
• c: 30.325 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4388.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.733
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No