Information card for entry 7135106

Structure parameters

• Formula: C34 H52 B2 F2 O10 S2
• Calculated formula: C34 H52 B2 F2 O10 S2
• Title of publication: Regioselective postmodification of aryl sulfonyl fluorides <i>via</i> iridium(I)-catalysed C-H borylation.
• Authors of publication: Wang, Shuting; Tang, Shuai; Han, Xiao-Le; Zhang, Hua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 95
• Pages of publication: 18830 - 18833
• a: 8.7369 ± 0.0002 Å
• b: 10.5221 ± 0.0002 Å
• c: 11.1567 ± 0.0003 Å
• α: 69.401 ± 0.001°
• β: 88.06 ± 0.001°
• γ: 71.327 ± 0.001°
• Cell volume: 905.93 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0333
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No