Information card for entry 7152518

Structure parameters

• Common name: diphenylboronpicoline-4chlorobenzaldehyde
• Formula: C25 H21 B Cl N O
• Calculated formula: C25 H21 B Cl N O
• SMILES: c1cccc2CC(c3ccc(cc3)Cl)O[B](c3ccccc3)(c3ccccc3)[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: 8.4273 ± 0.0008 Å
• b: 10.2028 ± 0.0009 Å
• c: 12.7409 ± 0.0012 Å
• α: 95.769 ± 0.001°
• β: 105.923 ± 0.001°
• γ: 104.904 ± 0.001°
• Cell volume: 1000.62 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No