Information card for entry 7152504

Structure parameters

• Common name: BBN-picoline-LiOMe-TMEDA
• Formula: C21 H39 B Li N3 O
• Calculated formula: C21 H39 B Li N3 O
• SMILES: c1cccc2C[B]3(C4CCCC3CCC4)[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: 9.537 ± 0.002 Å
• b: 19.523 ± 0.005 Å
• c: 11.571 ± 0.003 Å
• α: 90°
• β: 91.102 ± 0.003°
• γ: 90°
• Cell volume: 2154 ± 0.9 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: 0.0974
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2621
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No