Information card for entry 7129376

Structure parameters

• Formula: C36 H49 B2 F2 Li O8
• Calculated formula: C36 H49 B2 F2 Li O8
• Title of publication: Nucleophilic borylation of fluorobenzenes with reduced arylboranes
• Authors of publication: Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 14.7855 ± 0.0006 Å
• b: 11.3455 ± 0.0003 Å
• c: 21.3068 ± 0.0008 Å
• α: 90°
• β: 99.601 ± 0.003°
• γ: 90°
• Cell volume: 3524.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No