Information card for entry 7130751

Structure parameters

• Formula: C13 H4 F5
• Calculated formula: C13 H4 F5
• Title of publication: Unique regioselectivity of the Pd-catalysed cross-dehydrogenative coupling reaction of simple polyaromatic hydrocarbons with polyfluoroarenes
• Authors of publication: Sato, Ryota; Iida, Tomoki; Kanbara, Takaki; Kuwabara, Junpei
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 22.572 ± 0.005 Å
• b: 6.5859 ± 0.0015 Å
• c: 13.304 ± 0.003 Å
• α: 90°
• β: 106.248 ± 0.003°
• γ: 90°
• Cell volume: 1898.7 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0934
• 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