Information card for entry 7054487

Structure parameters

• Formula: C9 H16 N2 O3
• Calculated formula: C9 H16 N2 O3
• SMILES: c1n(c(c(C)[n+]1C)C)CC.C(=O)(O)[O-]
• Title of publication: Peralkylated imidazolium carbonate ionic liquids: synthesis using dimethyl carbonate, reactivity and structure
• Authors of publication: Maton, C.; Van Hecke, K.; Stevens, C. V.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 461
• a: 6.9516 ± 0.0003 Å
• b: 8.1294 ± 0.0003 Å
• c: 9.6234 ± 0.0004 Å
• α: 74.586 ± 0.004°
• β: 80.157 ± 0.004°
• γ: 83.657 ± 0.003°
• Cell volume: 515.35 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.042
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No