Information card for entry 7152519

Structure parameters

• Common name: diphenylboronpicoline-n,n-dimethylacetamide
• Formula: C20 H18 B N O
• Calculated formula: C20 H18 B N O
• SMILES: c1cccc2C=C(C)O[B](c3ccccc3)(c3ccccc3)[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: 8.4944 ± 0.0004 Å
• b: 9.8689 ± 0.0005 Å
• c: 10.9392 ± 0.0006 Å
• α: 63.499 ± 0.001°
• β: 87.637 ± 0.001°
• γ: 81.64 ± 0.001°
• Cell volume: 811.67 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No