Information card for entry 4106566

Structure parameters

• Formula: C19 H34 B F4 N O7
• Calculated formula: C19 H34 B F4 N O7
• SMILES: [B](F)(F)(F)[F-].O1CCOCCOCCOCCOCCOCC1.[NH3+]c1ccc(OC)cc1
• Title of publication: Supramolecular Bola-Like Ferroelectric: 4-Methoxyanilinium Tetrafluoroborate-18-crown-6
• Authors of publication: Da-Wei Fu; Wen Zhang; Hong-Ling Cai; Yi Zhang; Jia-Zhen Ge; Ren-Gen Xiong; Songping D. Huang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12780 - 12786
• a: 15.913 ± 0.003 Å
• b: 12.505 ± 0.003 Å
• c: 11.285 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2245.6 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No