Information card for entry 7240809

Structure parameters

• Formula: C12 H8 F8 O S
• Calculated formula: C12 H8 F8 O S
• 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: 17.003 ± 0.003 Å
• b: 7.634 ± 0.001 Å
• c: 19.904 ± 0.003 Å
• α: 90°
• β: 98.327 ± 0.013°
• γ: 90°
• Cell volume: 2556.3 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1661
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No