Information card for entry 7152507

Structure parameters

• Common name: diethylboronpicoline-13dicyanobenzene
• Formula: C28 H36 B2 N4
• Calculated formula: C28 H36 B2 N4
• SMILES: c1cccc2C=C(c3cc(C4=Cc5cccc[n]5[B](CC)(CC)N4)ccc3)N[B](CC)(CC)[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: 10.285 ± 0.002 Å
• b: 24.538 ± 0.005 Å
• c: 10.285 ± 0.002 Å
• α: 90°
• β: 93.67°
• γ: 90°
• Cell volume: 2590.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No