Information card for entry 4001610

Structure parameters

• Formula: C24 H48 Cl4 N2 O
• Calculated formula: C24 H46 Cl4 N2 O
• SMILES: [Cl-].C[n+]1c(n(cc1)CCCCCCCCCCCCCCCCCC)C.C(Cl)(Cl)Cl.O
• Title of publication: Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts
• Authors of publication: Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 43
• a: 6.81 ± 0.003 Å
• b: 9.037 ± 0.004 Å
• c: 25.214 ± 0.011 Å
• α: 92.057 ± 0.008°
• β: 94.654 ± 0.008°
• γ: 108.591 ± 0.007°
• Cell volume: 1462.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2118
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2595
• Weighted residual factors for all reflections included in the refinement: 0.3228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No