Information card for entry 2023009

Structure parameters

• Chemical name: 2-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trimethylsilyl)phenyl trifluoromethanesulfonate
• Formula: C17 H26 B F3 O5 S Si
• Calculated formula: C17 H26 B F3 O5 S Si
• Title of publication: Synthesis and crystal structures of boryl <i>ortho</i>-silylaryl tri-fluoro-methane-sulfonates.
• Authors of publication: Barnå, Fredrik; Hribersek, Matic; Orthaber, Andreas; Pilarski, Lukasz T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 143 - 147
• a: 10.2407 ± 0.0008 Å
• b: 12.6295 ± 0.001 Å
• c: 34.127 ± 0.003 Å
• α: 90°
• β: 95.689 ± 0.002°
• γ: 90°
• Cell volume: 4392.1 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes