Information card for entry 2220293

Structure parameters

• Chemical name: Potassium trifluoro[(<i>Z</i>)-3-methoxyprop-1-enyl]borate
• Formula: C4 H7 B F3 K O
• Calculated formula: C4 H7 B F3 K O
• SMILES: B(/C=C\COC)(F)(F)F.[K+]
• Title of publication: Potassium trifluoro[(<i>Z</i>)-3-methoxyprop-1-enyl]borate
• Authors of publication: Zukerman-Schpector, Julio; Guadagnin, Rafael C.; Stefani, Hélio A.; Visentin, Lorenzo do Canto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1525
• a: 10.882 ± 0.002 Å
• b: 7.2668 ± 0.0015 Å
• c: 9.2317 ± 0.0018 Å
• α: 90°
• β: 101.52 ± 0.03°
• γ: 90°
• Cell volume: 715.3 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes