Information card for entry 2227283

Structure parameters

• Chemical name: 2,3;5,6-Di-<i>O</i>-isopropylidene-1-<i>O</i>-(2-phenylacetyl)- α-<i>D</i>-mannofuranose
• Formula: C20 H26 O7
• Calculated formula: C20 H26 O7
• SMILES: O1[C@H]([C@@H]2OC(OC2)(C)C)[C@@H]2OC(O[C@@H]2[C@H]1OC(=O)Cc1ccccc1)(C)C
• Title of publication: 2,3;5,6-Di-<i>O</i>-isopropylidene-1-<i>O</i>-(2-phenylacetyl)-α-<small>D</small>-mannofuranose
• Authors of publication: Sacui, Iulia A.; Norris, Peter; Zeller, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2341
• a: 5.6174 ± 0.0003 Å
• b: 13.0946 ± 0.0008 Å
• c: 25.2021 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1853.81 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes