Information card for entry 7115306

Structure parameters

• Formula: C17 H27 B F K O3.5
• Calculated formula: C17 H27 B F K O3.5
• SMILES: [K+].Fc1ccc(cc1)[B]1(OCC(CO1)(C)C)OC(C)(C)C.O1CCCC1
• Title of publication: Nickel-catalysed carboxylation of organoboronates
• Authors of publication: Yusuke Makida; Enrico Marelli; Alexandra M. Z. Slawin; Steven P. Nolan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8010
• a: 11.369 ± 0.002 Å
• b: 13.198 ± 0.002 Å
• c: 13.395 ± 0.002 Å
• α: 102.149 ± 0.005°
• β: 103.237 ± 0.005°
• γ: 90.795 ± 0.003°
• Cell volume: 1908.6 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No