Information card for entry 1570606

Structure parameters

• Formula: C27 H35 B Fe O2
• Calculated formula: C27 H35 B Fe 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: 9.8635 ± 0.0005 Å
• b: 11.6173 ± 0.0006 Å
• c: 12.5223 ± 0.0007 Å
• α: 100.723 ± 0.003°
• β: 106.987 ± 0.003°
• γ: 111.523 ± 0.003°
• Cell volume: 1205.26 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No