Information card for entry 2238728

Structure parameters

• Chemical name: 1-(5,5-Dimethoxypentyl)-3-methylimidazolium-2-carboxylate
• Formula: C12 H20 N2 O4
• Calculated formula: C12 H20 N2 O4
• SMILES: [O-]C(=O)c1n(cc[n+]1C)CCCCC(OC)OC
• Title of publication: 1-(5,5-Dimethoxypentyl)-3-methylimidazolium-2-carboxylate
• Authors of publication: Walter, Olaf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1611
• a: 7.1943 ± 0.0008 Å
• b: 7.3259 ± 0.0008 Å
• c: 13.2263 ± 0.0015 Å
• α: 85.124 ± 0.002°
• β: 85.542 ± 0.002°
• γ: 72.938 ± 0.002°
• Cell volume: 662.98 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No