Information card for entry 2210562

Structure parameters

• Chemical name: 2-C-Methyl-3,4-O-methylidene-D-arabinono-1,5-lactone
• Formula: C7 H10 O5
• Calculated formula: C7 H10 O5
• SMILES: [C@]1([C@H]2[C@@H](COC1=O)OCO2)(O)C
• Title of publication: 2-<i>C</i>-Methyl-3,4-<i>O</i>-methylidene-<small>D</small>-arabinono-1,5-lactone
• Authors of publication: Bream, Richard; Watkin, David J.; Jones, Nigel A.; Jenkinson, Sarah F.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4356 - o4358
• a: 6.8693 ± 0.0003 Å
• b: 7.0382 ± 0.0003 Å
• c: 15.7909 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 763.45 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes