Information card for entry 2217181

Structure parameters

• Chemical name: 2,4,6-Tris(4-fluorophenyl)-2-(1-pyridyl)boroxine
• Formula: C23 H17 B3 F3 N O3
• Calculated formula: C23 H17 B3 F3 N O3
• SMILES: B1(c2ccc(cc2)F)OB(c2ccc(cc2)F)O[B](c2ccc(cc2)F)([n]2ccccc2)O1
• Title of publication: 2,4,6-Tris(4-fluorophenyl)-2-(1-pyridyl)-boroxine
• Authors of publication: Wayne H. Pearson; Shirley Lin; Peter M. Iovine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o235 - o235
• a: 11.6333 ± 0.0005 Å
• b: 14.023 ± 0.0007 Å
• c: 14.1181 ± 0.0007 Å
• α: 90°
• β: 109.337 ± 0.003°
• γ: 90°
• Cell volume: 2173.21 ± 0.18 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.048
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes