Information card for entry 1570604

Structure parameters

• Formula: C24 H31 B O2
• Calculated formula: C24 H31 B O2
• 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: 12.9545 ± 0.0005 Å
• b: 20.8834 ± 0.0008 Å
• c: 16.8105 ± 0.0007 Å
• α: 90°
• β: 110.893 ± 0.002°
• γ: 90°
• Cell volume: 4248.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1063
• 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: No
• Has Fobs: No