Information card for entry 2206706

Structure parameters

• Chemical name: 1,2:3,4-Di-O-isopropylidene-β-D-psicofuranose
• Formula: C12 H20 O6
• Calculated formula: C12 H20 O6
• SMILES: [C@]12([C@H]3[C@@H]([C@H](O1)CO)OC(O3)(C)C)OC(OC2)(C)C
• Title of publication: 1,2:3,4-Di-<i>O</i>-isopropylidene-β-<small>D</small>-psicofuranose
• Authors of publication: David J Watkin; Andreas F. G. Glawar; Raquel Soengas; Ken Izumori; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2949 - o2951
• a: 7.5915 ± 0.0002 Å
• b: 20.1407 ± 0.0006 Å
• c: 17.5607 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2685 ± 0.14 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9433
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes