Information card for entry 2237280

Structure parameters

• Chemical name: Isopropyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside
• Formula: C17 H26 O10
• Calculated formula: C17 H26 O10
• SMILES: O(C(=O)C)[C@@H]1[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O[C@H]1OC(C)C)COC(=O)C
• Title of publication: Isopropyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Mönch, Bettina; Emmerling, Franziska; Kraus, Werner; Becker, Roland; Nehls, Irene
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o157
• a: 9.4225 ± 0.0012 Å
• b: 9.9313 ± 0.0012 Å
• c: 11.3641 ± 0.0015 Å
• α: 90°
• β: 98.482 ± 0.009°
• γ: 90°
• Cell volume: 1051.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes