Information card for entry 7712119

Structure parameters

• Formula: C18 H12 B F3 O3
• Calculated formula: C18 H12 B F3 O3
• Title of publication: Synthesis and lewis acidity of fluorinated triaryl borates.
• Authors of publication: Alharbi, Mashael M.; van Ingen, Yara; Roldan, Alberto; Kaehler, Tanja; Melen, Rebecca L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1820 - 1825
• a: 9.2006 ± 0.0009 Å
• b: 9.4849 ± 0.0009 Å
• c: 10.6212 ± 0.0007 Å
• α: 92.872 ± 0.006°
• β: 101.18 ± 0.007°
• γ: 115.335 ± 0.009°
• Cell volume: 812.53 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No