Information card for entry 2226965

Structure parameters

• Chemical name: 1-Ethyl-3-(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate
• Formula: C14 H19 B F4 N2
• Calculated formula: C14 H19 B F4 N2
• SMILES: [B](F)(F)(F)[F-].c1(c(cc(cc1C)C)C)n1cc[n+](c1)CC
• Title of publication: 1-Ethyl-3-(2,4,6-trimethylphenyl)imidazolium tetrafluoroborate
• Authors of publication: Guan, Jin-Tao; Hou, Jian-Guo; Zhang, Zhi-Yong; Zhao, Si-Yin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2036
• a: 7.7637 ± 0.0007 Å
• b: 9.1625 ± 0.0009 Å
• c: 21.559 ± 0.002 Å
• α: 90°
• β: 91.401 ± 0.002°
• γ: 90°
• Cell volume: 1533.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes