Information card for entry 2206746

Structure parameters

• Chemical name: 1,2:3,4-Di-O-isopropylidene-α-D-tagatofuranose
• 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-α-<small>D</small>-tagatofuranose
• Authors of publication: David J. Watkin; Andreas F. G. Glawar; Raquel Soengas; Ulla P. Skytte; 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: o2891 - o2893
• a: 5.8241 ± 0.0001 Å
• b: 8.4972 ± 0.0002 Å
• c: 27.1899 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1345.59 ± 0.05 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0416
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes