Information card for entry 1570153

Structure parameters

• Formula: C8 H4 Cl F8 N O2 S
• Calculated formula: C8 H4 Cl F8 N O2 S
• Title of publication: Fluoroalkylated hypervalent sulfur fluorides: radical addition of arylchlorotetrafluoro-λ⁶-sulfanes to tetrafluoroethylene.
• Authors of publication: Yasuo, Eisuke; Aikawa, Kohsuke; Nozaki, Kyoko; Okazoe, Takashi
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 12379 - 12385
• a: 8.9467 ± 0.0004 Å
• b: 10.7344 ± 0.0004 Å
• c: 12.9509 ± 0.0005 Å
• α: 90°
• β: 101.742 ± 0.004°
• γ: 90°
• Cell volume: 1217.74 ± 0.09 ų
• Cell temperature: 169.98 ± 0.1 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 7
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No