Information card for entry 2214785

Structure parameters

• Chemical name: 2,6-Anhydro-1-deoxy-3,4-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-β-D- ribo-hex-2-ulofuranose
• Formula: C10 H16 O4
• Calculated formula: C10 H16 O4
• SMILES: [C@@]12([C@]3(O[C@@H]([C@H]1OC(O2)(C)C)CO3)C)C
• Title of publication: 2,6-Anhydro-1-deoxy-3,4-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-β-<small>D</small>-<i>ribo</i>-hex-2-ulofuranose
• Authors of publication: Curran, Louise A.; Jenkinson, Sarah F.; Jones, Nigel A.; Watkin, David J.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3388 - o3388
• a: 6.6307 ± 0.0002 Å
• b: 11.1029 ± 0.0004 Å
• c: 14.1409 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1041.05 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0411
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes