Information card for entry 4083536

Structure parameters

• Formula: C20 H23 B F5 O P
• Calculated formula: C20 H23 B F5 O P
• SMILES: P1(=[O][BH](c2c1cccc2)c1c(F)c(F)c(F)c(F)c1F)(C(C)(C)C)C(C)(C)C
• 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: 8.2095 ± 0.0005 Å
• b: 20.649 ± 0.0009 Å
• c: 12.0842 ± 0.0007 Å
• α: 90°
• β: 100.62 ± 0.005°
• γ: 90°
• Cell volume: 2013.4 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No