Information card for entry 2220594

Structure parameters

• Chemical name: Potassium trifluoro[(<i>Z</i>)-3-(oxan-2-yloxy)prop-1-en-1-yl]borate monohydrate
• Formula: C8 H15 B F3 K O3
• Calculated formula: C8 H15 B F3 K O3
• SMILES: [K+].[B](F)(F)(F)/C=C\COC1OCCCC1.O
• Title of publication: Potassium trifluoro[(<i>Z</i>)-3-(oxan-2-yloxy)prop-1-en-1-yl]borate monohydrate
• 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: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o192
• a: 8.521 ± 0.0007 Å
• b: 17.056 ± 0.001 Å
• c: 8.6318 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1254.5 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes