Information card for entry 7129378

Structure parameters

• Formula: C78 H126 B2 F4 Li2 O14
• Calculated formula: C78 H126 B2 F4 Li2 O14
• 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: 11.434 ± 0.0004 Å
• b: 19.511 ± 0.0007 Å
• c: 18.5193 ± 0.0007 Å
• α: 90°
• β: 90.374 ± 0.003°
• γ: 90°
• Cell volume: 4131.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2594
• Weighted residual factors for all reflections included in the refinement: 0.2732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No