Information card for entry 7129382

Structure parameters

• Formula: C15 H16 F5 N O S Si
• Calculated formula: C15 H16 F5 N O S Si
• 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: 11.9576 ± 0.0003 Å
• b: 15.6343 ± 0.0003 Å
• c: 9.2554 ± 0.0002 Å
• α: 90°
• β: 99.167 ± 0.001°
• γ: 90°
• Cell volume: 1708.19 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0306
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No