Information card for entry 2223015

Structure parameters

• Chemical name: 1-Benzyl-3-(2-methoxyphenyl)imidazolium tetrafluoroborate
• Formula: C17 H17 B F4 N2 O
• Calculated formula: C17 H17 B F4 N2 O
• SMILES: [B](F)(F)(F)[F-].O(c1c([n+]2ccn(Cc3ccccc3)c2)cccc1)C
• Title of publication: 1-Benzyl-3-(2-methoxyphenyl)imidazolium tetrafluoroborate
• Authors of publication: Jiang, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2178
• a: 7.188 ± 0.0013 Å
• b: 15.114 ± 0.003 Å
• c: 15.358 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1668.5 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes