Information card for entry 2214780

Structure parameters

• Chemical name: 5,6-<i>O</i>-Isopropylidene-3-<i>C</i>-methyl-D-mannono-1,4-lactone
• Formula: C10 H16 O6
• Calculated formula: C10 H16 O6
• SMILES: [C@]1([C@@H]([C@@H]2OC(OC2)(C)C)OC(=O)[C@H]1O)(O)C
• Title of publication: 5,6-<i>O</i>-Isopropylidene-3-<i>C</i>-methyl-<small>D</small>-mannono-1,4-lactone
• Authors of publication: Curran, Louise A.; Jones, Nigel A.; Jenkinson, Sarah F.; 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: o3416 - o3416
• a: 5.9838 ± 0.0003 Å
• b: 11.7424 ± 0.0005 Å
• c: 7.9189 ± 0.0005 Å
• α: 90°
• β: 91.8112 ± 0.0018°
• γ: 90°
• Cell volume: 556.14 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0519
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes