Information card for entry 2208868

Structure parameters

• Chemical name: Dimethyl 3t,4t-dicarboxytetrahydrofuran-2r,5c-dicarboxylate
• Formula: C10 H12 O9
• Calculated formula: C10 H12 O9
• SMILES: O1[C@H]([C@@H]([C@@H]([C@H]1C(=O)OC)C(=O)O)C(=O)O)C(=O)OC
• Title of publication: Dimethyl 3<i>t</i>,4<i>t</i>-dicarboxytetrahydrofuran-2<i>r</i>,5<i>c</i>-dicarboxylate
• Authors of publication: Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1724 - o1726
• a: 5.5117 ± 0.0004 Å
• b: 25.419 ± 0.003 Å
• c: 8.197 ± 0.0007 Å
• α: 90°
• β: 96.634 ± 0.006°
• γ: 90°
• Cell volume: 1140.73 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes