Information card for entry 4082688

Structure parameters

• Formula: C63 H39 B F12 O P
• Calculated formula: C63 H39 B F12 O P
• Title of publication: Tris(5,6,7,8-tetrafluoronaphthalen-2-yl)borane, a Partially Fluorinated Boron Lewis Acid with Fluorination Distal to the Boron Atom
• Authors of publication: Mohr, Jens; Durmaz, Mustafa; Irran, Elisabeth; Oestreich, Martin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1108
• a: 9.9578 ± 0.0004 Å
• b: 12.8785 ± 0.0003 Å
• c: 20.3876 ± 0.0007 Å
• α: 89.118 ± 0.002°
• β: 89.773 ± 0.003°
• γ: 83.346 ± 0.003°
• Cell volume: 2596.61 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No