Information card for entry 3500072

Structure parameters

• Chemical name: 2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane
• Formula: C18 H12 B3 F3 O3
• Calculated formula: C18 H12 B3 F3 O3
• Title of publication: 2,4,6-tris(4'-fluorophenyl)-1,3,5,2,4,6-trioxatriborane
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2019
• a: 3.8295 ± 0.0002 Å
• b: 20.8392 ± 0.0008 Å
• c: 10.4262 ± 0.0004 Å
• α: 90°
• β: 97.142 ± 0.002°
• γ: 90°
• Cell volume: 825.59 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes