Information card for entry 1520155

Structure parameters

• Chemical name: L-Tartaric Acid and 4-Methylimidazole
• Formula: C8 H12 N2 O6
• Calculated formula: C8 H12 N2 O6
• SMILES: C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.c1[nH]cc(C)[nH+]1
• Title of publication: 4-Methylimidazolium 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: 525
• a: 7.5842 ± 0.0014 Å
• b: 8.2124 ± 0.0016 Å
• c: 32.363 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2015.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.671 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No