Information card for entry 7234914

Structure parameters

• Formula: C8 H11 B F4 N2 O2
• Calculated formula: C8 H11 B F4 N2 O2
• Title of publication: Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals
• Authors of publication: Maciej Wojtas; Anna Gagor; Andrei L. Kholkin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 7622 - 7631
• a: 5.0586 ± 0.0002 Å
• b: 9.4971 ± 0.0004 Å
• c: 11.2012 ± 0.0005 Å
• α: 87.637 ± 0.004°
• β: 80.166 ± 0.003°
• γ: 89.255 ± 0.003°
• Cell volume: 529.76 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No