Information card for entry 7152598

Structure parameters

• Formula: C19 H29 B O2
• Calculated formula: C19 H29 B O2
• SMILES: O1B(C(/c2ccc(cc2)C)=C/C(C)(C)C)OC(C1(C)C)(C)C
• Title of publication: CuCl-K(2)CO(3)-catalyzed highly selective borylcupration of internal alkynes - ligand effect.
• Authors of publication: Yuan, Weiming; Ma, Shengming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 7266 - 7268
• a: 12.1475 ± 0.0011 Å
• b: 6.0763 ± 0.0006 Å
• c: 24.653 ± 0.002 Å
• α: 90°
• β: 90.38 ± 0.003°
• γ: 90°
• Cell volume: 1819.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No