Information card for entry 4130330

Structure parameters

• Formula: C18 H26 B2 F2 O4
• Calculated formula: C18 H26 B2 F2 O4
• SMILES: B1(c2cc(c(B3OC(C(C)(C)O3)(C)C)cc2F)F)OC(C(C)(C)O1)(C)C
• Title of publication: Preparing (Multi)Fluoroarenes as Building Blocks for Synthesis: Nickel-Catalyzed Borylation of Polyfluoroarenes via C-F Bond Cleavage.
• Authors of publication: Zhou, Jing; Kuntze-Fechner, Maximilian W; Bertermann, Rüdiger; Paul, Ursula S. D.; Berthel, Johannes H. J.; Friedrich, Alexandra; Du, Zhenting; Marder, Todd B.; Radius, Udo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 16
• Pages of publication: 5250 - 5253
• a: 21.448 ± 0.002 Å
• b: 7.166 ± 0.0007 Å
• c: 12.5448 ± 0.0013 Å
• α: 90°
• β: 98.521 ± 0.002°
• γ: 90°
• Cell volume: 1906.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No