Information card for entry 4023546

Structure parameters

• Formula: C7 H12 N2 O3
• Calculated formula: C7 H12 N2 O3
• SMILES: OC(=O)[O-].n1(c[n+](cc1)CC)C
• Title of publication: A Solventless Route to 1-Ethyl-3-methylimidazolium Fluoride Hydrofluoride, [C~2~mim][F].xHF
• Authors of publication: Christiaan Rijksen; Robin D. Rogers
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5582 - 5584
• a: 7.4485 ± 0.0012 Å
• b: 7.6023 ± 0.0012 Å
• c: 8.1635 ± 0.0013 Å
• α: 90.627 ± 0.003°
• β: 101.339 ± 0.003°
• γ: 109.74 ± 0.003°
• Cell volume: 425.11 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No