Information card for entry 1570601

Structure parameters

• Formula: C15 H21 B Cl I O2
• Calculated formula: C15 H21 B Cl I 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: 14.7648 ± 0.0005 Å
• b: 11.9997 ± 0.0005 Å
• c: 9.965 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.53 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No