Information card for entry 2226200

Structure parameters

• Common name: 4-Methylanilinium tetrafluoroborate 18-crown-6
• Chemical name: 4-Methylanilinium tetrafluoroborate‒1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)
• Formula: C19 H34 B F4 N O6
• Calculated formula: C19 H34 B F4 N O6
• Title of publication: 4-Methylanilinium tetrafluoroborate 18-crown-6 clathrate
• Authors of publication: Ge, Jia-Zhen; Zhao, Min-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1478
• a: 15.439 ± 0.003 Å
• b: 11.616 ± 0.002 Å
• c: 13.071 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2344.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes