Information card for entry 1513142

Structure parameters

• Formula: C8 H16 O5
• Calculated formula: C8 H16 O5
• SMILES: [C@@H]1([C@H]([C@@H]([C@@H](CO1)O)O)O)OC(C)C
• Title of publication: Organocatalyzed direct glycosylation of unprotected and unactivated carbohydrates.
• Authors of publication: Schmalisch, Sebastian; Mahrwald, Rainer
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 5854 - 5857
• a: 5.775 ± 0.0012 Å
• b: 8.1191 ± 0.0011 Å
• c: 10.0943 ± 0.0019 Å
• α: 90°
• β: 93.44 ± 0.02°
• γ: 90°
• Cell volume: 472.45 ± 0.15 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No