Information card for entry 7152510

Structure parameters

• Common name: diethylboronpicoline-2chloroacetophenone
• Formula: C18 H23 B Cl N O
• Calculated formula: C18 H23 B Cl N O
• SMILES: c1cccc2CC(c3ccccc3)(CCl)O[B](CC)(CC)[n]12
• Title of publication: 1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.
• Authors of publication: Son, Jung-Ho; Hoefelmeyer, James D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 6656 - 6664
• a: 8.2474 ± 0.0006 Å
• b: 18.4202 ± 0.0013 Å
• c: 11.0654 ± 0.0008 Å
• α: 90°
• β: 97.891 ± 0.001°
• γ: 90°
• Cell volume: 1665.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No