Information card for entry 1570158

Structure parameters

• Formula: C18 H33 B F3 O P
• Calculated formula: C18 H33 B F3 O P
• SMILES: [O]([B](F)(F)F)=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Trialkylphosphonium oxoborates as C(sp³)-H oxyanion holes and their application in catalytic chemoselective acetalization.
• Authors of publication: Leung, Vincent Ming-Yau; Wong, Hong-Chai Fabio; Pook, Chun-Man; Tse, Ying-Lung Steve; Yeung, Ying-Yeung
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 12684 - 12692
• a: 9.478 ± 0.0007 Å
• b: 13.1121 ± 0.001 Å
• c: 15.943 ± 0.0011 Å
• α: 90°
• β: 91.183 ± 0.002°
• γ: 90°
• Cell volume: 1980.9 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No