Information card for entry 7240811

Structure parameters

• Formula: C14 H12 F8 O2
• Calculated formula: C14 H12 F8 O2
• Title of publication: Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X
• Authors of publication: Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 42
• Pages of publication: 24862 - 24866
• a: 9.7335 ± 0.0007 Å
• b: 19.26 ± 0.002 Å
• c: 15.5646 ± 0.0018 Å
• α: 90°
• β: 94.317 ± 0.008°
• γ: 90°
• Cell volume: 2909.6 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.1008
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No