Information card for entry 2208277

Structure parameters

• Chemical name: 2,5-Di-O-acetyl-3-C-methyl-D-lyxono-1,4-lactone
• Formula: C10 H14 O7
• Calculated formula: C10 H14 O7
• SMILES: [C@H]1(C(=O)O[C@H](COC(=O)C)[C@@]1(O)C)OC(=O)C
• Title of publication: 2,5-Di-<i>O</i>-acetyl-3-<i>C</i>-methyl-<small>D</small>-lyxono-1,4-lactone
• Authors of publication: Bream, Richard; Watkin, David; Soengas, Raquel; Eastwick-Field, Vanessa; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o977 - o979
• a: 8.8524 ± 0.0001 Å
• b: 10.0821 ± 0.0002 Å
• c: 13.1198 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1170.95 ± 0.03 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: 0.0337
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for all reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes