Information card for entry 2233825

Structure parameters

• Chemical name: 4-Chloroanilinium tetrafluoroborate 1,4,7,10,13,16-hexaoxacyclooctadecane
• Formula: C18 H31 B Cl F4 N O6
• Calculated formula: C18 H31 B Cl F4 N O6
• Title of publication: 4-Chloroanilinium tetrafluoroborate 18-crown-6 clathrate
• Authors of publication: Xu, Jie; Zhao, Min-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o738
• a: 15.619 ± 0.003 Å
• b: 11.374 ± 0.002 Å
• c: 12.956 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1427
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes