Information card for entry 7152503

Structure parameters

• Common name: diethylboronpicoline-LiOMe-TMEDA
• Formula: C17 H35 B Li N3 O
• Calculated formula: C17 H35 B Li N3 O
• SMILES: c1cccc2C[B](CC)(CC)[O](C)[Li]3([n]12)[N](C)(C)CC[N]3(C)C
• 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: 10.166 ± 0.004 Å
• b: 13.303 ± 0.006 Å
• c: 15.011 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2030.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No