Information card for entry 7152515

Structure parameters

• Common name: BBNpicoline-n,n-dimethylacetamide
• Formula: C16 H22 B N O
• Calculated formula: C16 H22 B N O
• SMILES: c1cccc2C=C(C)O[B]3(C4CCCC3CCC4)[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: 8.4677 ± 0.0004 Å
• b: 11.4989 ± 0.0005 Å
• c: 14.424 ± 0.0007 Å
• α: 90°
• β: 101.503 ± 0.001°
• γ: 90°
• Cell volume: 1376.24 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No