Information card for entry 7152501

Structure parameters

• Common name: diphenylboronpicoline-dimer
• Formula: C36 H32 B2 N2
• Calculated formula: C36 H32 B2 N2
• SMILES: [B]1([n]2ccccc2C[B](c2ccccc2)([n]2ccccc2C1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 20.0937 ± 0.0016 Å
• b: 9.9331 ± 0.0008 Å
• c: 15.1773 ± 0.0012 Å
• α: 90°
• β: 112.871 ± 0.001°
• γ: 90°
• Cell volume: 2791.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No