Information card for entry 7122516

Structure parameters

• Formula: C20 H30 B I O2
• Calculated formula: C20 H30 B I O2
• Title of publication: Nickel-catalyzed intermolecular carboiodination of alkynes with aryl iodides.
• Authors of publication: Takahashi, Toshifumi; Kuroda, Daiki; Kuwano, Toru; Yoshida, Yuji; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 90
• Pages of publication: 12750 - 12753
• a: 13.663 ± 0.012 Å
• b: 10.672 ± 0.008 Å
• c: 15.638 ± 0.013 Å
• α: 90°
• β: 105.433 ± 0.007°
• γ: 90°
• Cell volume: 2198 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.35
• Goodness-of-fit parameter for all reflections included in the refinement: 2.136
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No