Information card for entry 4001609

Structure parameters

• Formula: C22 H45 Cl N2 O
• Calculated formula: C22 H43 Cl N2 O
• SMILES: CCCCCCCCCCCCCCCCCCn1cc[n+](c1)C.O.[Cl-]
• 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: 7.2902 ± 0.0015 Å
• b: 8.3757 ± 0.0017 Å
• c: 61.789 ± 0.013 Å
• α: 88.085 ± 0.003°
• β: 89.908 ± 0.003°
• γ: 71.268 ± 0.003°
• Cell volume: 3570.9 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.6867 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No