Information card for entry 7154774

Structure parameters

• Formula: C11 H21 N O7
• Calculated formula: C11 H21 N O7
• SMILES: O1[C@@H]([C@@H](O)[C@H](O)[C@@H](NC(=O)C)[C@@H]1CC(=O)C)CO.O
• Title of publication: Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.
• Authors of publication: Johnson, Sherida; Tanaka, Fujie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 259 - 264
• a: 5.008 ± 0.002 Å
• b: 8.002 ± 0.004 Å
• c: 17.346 ± 0.008 Å
• α: 90°
• β: 95.347 ± 0.005°
• γ: 90°
• Cell volume: 692.1 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.037
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No