Information card for entry 7129381

Structure parameters

• Formula: C10 H16 Br F5 O2 S Si2
• Calculated formula: C10 H16 Br F5 O2 S Si2
• Title of publication: In situ ortho-lithiation/functionalization of pentafluorosulfanyl arenes
• Authors of publication: Le, Thanh V.; Daugulis, Olafs
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 24.198 ± 0.0009 Å
• b: 13.168 ± 0.0005 Å
• c: 22.697 ± 0.0008 Å
• α: 90°
• β: 109.697 ± 0.002°
• γ: 90°
• Cell volume: 6809 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No