Information card for entry 2213452

Structure parameters

• Chemical name: 2,3:5,6-Di-<i>O</i>-isopropylidene-3,5-di-<i>C</i>-methyl-L-mannono-1,4- lactone
• Formula: C14 H22 O6
• Calculated formula: C14 H22 O6
• SMILES: [C@]12([C@H]([C@]3(OC(OC3)(C)C)C)OC(=O)[C@@H]1OC(O2)(C)C)C
• Title of publication: 2,3:5,6-Di-<i>O</i>-isopropylidene-3,5-di-<i>C</i>-methyl-<small>L</small>-mannono-1,4-lactone
• Authors of publication: Booth, Kathrine V.; Jenkinson, Sarah F.; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2204 - o2206
• a: 15.6104 ± 0.0003 Å
• b: 15.6104 ± 0.0003 Å
• c: 12.434 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2624.03 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9668
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes