Information card for entry 2224028

Structure parameters

• Chemical name: 1-Methyl-3-<i>n</i>-tetradecylimidazolium bromide monohydrate
• Formula: C18 H37 Br N2 O
• Calculated formula: C18 H37 Br N2 O
• SMILES: [Br-].O.n1(CCCCCCCCCCCCCC)cc[n+](c1)C
• Title of publication: 1-Methyl-3-<i>n</i>-tetradecylimidazolium bromide monohydrate
• Authors of publication: Chen, Yu; Song, Wei; Xu, Juan; Yang, Xiao-Rong; Tian, Dan-Bi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2617
• a: 5.513 ± 0.0011 Å
• b: 7.839 ± 0.0016 Å
• c: 25.114 ± 0.005 Å
• α: 94.74 ± 0.03°
• β: 94.45 ± 0.03°
• γ: 102.06 ± 0.03°
• Cell volume: 1052.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes