Information card for entry 1519996

Structure parameters

• Chemical name: L-Tartaric Acid and 1,2-dimethylimidazole
• Formula: C9 H14 N2 O6
• Calculated formula: C9 H14 N2 O6
• SMILES: C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.c1(C)n(cc[nH+]1)C
• Title of publication: 1,2-Dimethylimidazolium L-tartrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 516
• a: 7.6534 ± 0.0008 Å
• b: 6.9693 ± 0.0007 Å
• c: 10.5603 ± 0.001 Å
• α: 90°
• β: 104.616 ± 0.005°
• γ: 90°
• Cell volume: 545.05 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No