Information card for entry 7054489

Structure parameters

• Formula: C9 H17 Cl N2
• Calculated formula: C9 H17 Cl N2
• SMILES: c1(C)n(c(c(C)[n+]1C)C)CC.[Cl-]
• 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: 19.8873 ± 0.0006 Å
• b: 19.8873 ± 0.0006 Å
• c: 14.4048 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4933.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No