Information card for entry 1506368

Structure parameters

• Formula: C19 H21 B F4 N2
• Calculated formula: C19 H21 B F4 N2
• SMILES: n1(c[n+](cc1)[C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C.[B](F)(F)(F)[F-]
• Title of publication: Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.
• Authors of publication: Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 10
• Pages of publication: 4341 - 4349
• a: 10.7207 ± 0.0003 Å
• b: 10.8545 ± 0.0002 Å
• c: 15.4841 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1801.85 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No