Information card for entry 1570603

Structure parameters

• Formula: C23 H29 B O4
• Calculated formula: C23 H29 B O4
• Title of publication: Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.
• Authors of publication: Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1672 - 1678
• a: 6.3808 ± 0.0007 Å
• b: 12.5531 ± 0.001 Å
• c: 26.558 ± 0.003 Å
• α: 90°
• β: 91.822 ± 0.008°
• γ: 90°
• Cell volume: 2126.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1574
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.2777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No