Information card for entry 2008148

Structure parameters

• Common name: (+)-tartaric acid dimethyl ether
• Chemical name: (2R,3R)-(+)-2,3-dimethoxybutanedioic acid
• Formula: C6 H10 O6
• Calculated formula: C6 H10 O6
• SMILES: CO[C@H]([C@H](C(=O)O)OC)C(=O)O
• Title of publication: Hydrogen bonding in (2<i>R</i>,3<i>R</i>)-(+)-2,3-dimethoxybutanedioic acid [(+)-tartaric acid dimethyl ether]
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 209 - 211
• a: 7.0863 ± 0.0005 Å
• b: 4.3394 ± 0.0006 Å
• c: 13.2126 ± 0.0006 Å
• α: 90°
• β: 90.147 ± 0.005°
• γ: 90°
• Cell volume: 406.29 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No