Information card for entry 7152505

Structure parameters

• Common name: BBNpicoline-LiOMe-2THF
• Formula: C23 H39 B Li N O3
• Calculated formula: C23 H39 B Li N O3
• SMILES: c1cccc2C[B]3(C4CCCC3CCC4)[O](C)[Li]([n]12)([O]1CCCC1)[O]1CCCC1
• 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: 9.1997 ± 0.0005 Å
• b: 10.062 ± 0.0005 Å
• c: 13.7746 ± 0.0007 Å
• α: 75.513 ± 0.001°
• β: 85.615 ± 0.001°
• γ: 66.257 ± 0.001°
• Cell volume: 1129.62 ± 0.1 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 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 all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No