Information card for entry 4083540

Structure parameters

• Formula: C26 H24 B F10 O P
• Calculated formula: C26 H24 B F10 O P
• SMILES: P(=[O][BH](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(C(C)(C)C)(C(C)(C)C)c1ccccc1
• Title of publication: Synthesis and Reactivity ofo-Phosphane Oxide Substituted Aryl(hydro)borates and Aryl(hydro)boranes
• Authors of publication: Breunig, Jens Michael; Lehmann, Felix; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 12
• Pages of publication: 3163
• a: 11.7547 ± 0.0008 Å
• b: 15.4233 ± 0.001 Å
• c: 15.8242 ± 0.0011 Å
• α: 102.286 ± 0.005°
• β: 92.657 ± 0.005°
• γ: 110.511 ± 0.005°
• Cell volume: 2602.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No