Information card for entry 7133180

Structure parameters

• Formula: C37 H39 B O2 Si
• Calculated formula: C37 H39 B O2 Si
• Title of publication: Synthesis of (1-silyl)allylboronates by KOtBu-catalyzed ring-opening gem-silylborylation of cyclopropenes
• Authors of publication: Fujii, Ikuya; Hirata, Haruka; Moniwa, Hirokazu; Shintani, Ryo
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 16.206 ± 0.004 Å
• b: 14.988 ± 0.003 Å
• c: 26.246 ± 0.005 Å
• α: 90°
• β: 99.955 ± 0.006°
• γ: 90°
• Cell volume: 6279 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0505
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No