Information card for entry 1519992

Structure parameters

• Chemical name: DL-tartaric acid & 1-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-].c1n(cc[nH+]1)C.C(=O)([C@@H]([C@H](C(=O)O)O)O)[O-].c1n(cc[nH+]1)C
• Title of publication: 1-Methylimidazolium DL-tartrate
• Authors of publication: Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 498
• a: 7.5192 ± 0.0003 Å
• b: 7.0534 ± 0.0003 Å
• c: 18.9307 ± 0.0008 Å
• α: 90°
• β: 100.552 ± 0.002°
• γ: 90°
• Cell volume: 987.03 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No