Information card for entry 2226529

Structure parameters

• Common name: Benzylammonium tetrafluoroborate 18-crown-6 clathrate
• Chemical name: Benzylammonium tetrafluoroborate 1,4,7,10,13,16-hexaoxacyclooctadecane solvate
• Formula: C19 H34 B F4 N O6
• Calculated formula: C19 H34 B F4 N O6
• SMILES: C1COCCOCCOCCOCCOCCO1.[B](F)(F)(F)[F-].[NH3+]Cc1ccccc1
• Title of publication: Benzylammonium tetrafluoroborate 18-crown-6 clathrate
• Authors of publication: Zhao, Min Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1618
• a: 9.281 ± 0.006 Å
• b: 10.673 ± 0.006 Å
• c: 11.863 ± 0.007 Å
• α: 76.418 ± 0.016°
• β: 86.244 ± 0.017°
• γ: 78.274 ± 0.015°
• Cell volume: 1118.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes