Information card for entry 7229208

Structure parameters

• Formula: C7 H17 N O3
• Calculated formula: C7 H17 N O3
• SMILES: OCC[N+](C)(C)C.[O-]C(=O)C
• Title of publication: Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions
• Authors of publication: Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 7.7116 ± 0.0004 Å
• b: 7.1277 ± 0.0004 Å
• c: 8.4076 ± 0.0005 Å
• α: 90°
• β: 102.612 ± 0.002°
• γ: 90°
• Cell volume: 450.98 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No