Information card for entry 7152500

Structure parameters

• Common name: BBN-picoline-dimer
• Formula: C28 H40 B2 N2
• Calculated formula: C28 H40 B2 N2
• SMILES: c1cccc2C[B]3(C4CCCC3CCC4)[n]3ccccc3C[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: 8.6278 ± 0.0007 Å
• b: 11.1348 ± 0.0008 Å
• c: 13.2544 ± 0.001 Å
• α: 71.123 ± 0.001°
• β: 89.295 ± 0.001°
• γ: 87.433 ± 0.001°
• Cell volume: 1203.64 ± 0.16 ų
• Cell temperature: 247 ± 2 K
• Ambient diffraction temperature: 247 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No