Information card for entry 4510294

Structure parameters

• Common name: C2C12imBr
• Chemical name: 1-Ethyl-3-Dodecylimidazolium bromide
• Formula: C17 H33 Br N2
• Calculated formula: C17 H33 Br N2
• SMILES: n1(cc[n+](c1)CCCCCCCCCCCC)CC.[Br-]
• Title of publication: A Systematic Study on the Mesomorphic Behavior of Asymmetrical 1-Alkyl-3-dodecylimidazolium Bromides
• Authors of publication: Yang, Mei; Mallick, Bert; Mudring, Anja-Verena
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1561
• a: 11.009 ± 0.001 Å
• b: 12.165 ± 0.0009 Å
• c: 23.177 ± 0.002 Å
• α: 94.727 ± 0.01°
• β: 95.591 ± 0.011°
• γ: 110.903 ± 0.009°
• Cell volume: 2862.9 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.0554
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No