Information card for entry 7129383

Structure parameters

• Formula: C10 H16 F6 O2 S Si2
• Calculated formula: C10 H16 F6 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: 11.6888 ± 0.0005 Å
• b: 12.0275 ± 0.0005 Å
• c: 18.7864 ± 0.0007 Å
• α: 89.43 ± 0.001°
• β: 85.981 ± 0.001°
• γ: 68.952 ± 0.001°
• Cell volume: 2458.52 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No