Information card for entry 7250875

Structure parameters

• Formula: C8 H11 B F4 N2 O2
• Calculated formula: C8 H11 B F4 N2 O2
• Title of publication: Crystal structure and piezoelectric properties of the final member of the pyridylalanine derivative series: [H-β-(3-pyridyl)-Ala-OH][BF4]
• Authors of publication: Wojtaś, Maciej; Gągor, Anna; Bdikin, Igor; Kopyl, Svitlana
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 40
• Pages of publication: 6679 - 6686
• a: 5.0698 ± 0.0008 Å
• b: 14.565 ± 0.002 Å
• c: 14.099 ± 0.002 Å
• α: 90°
• β: 97.056 ± 0.014°
• γ: 90°
• Cell volume: 1033.2 ± 0.3 ų
• Cell temperature: 85 ± 0.5 K
• Ambient diffraction temperature: 85 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2294
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No