Information card for entry 7153976

Structure parameters

• Common name: 2,6-dimethyl-4-(Bpin)-pyridine
• Formula: C13 H20 B N O2
• Calculated formula: C13 H20 B N O2
• Title of publication: Iridium-catalyzed C-H borylation of pyridines.
• Authors of publication: Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 7318 - 7327
• a: 7.9952 ± 0.0015 Å
• b: 6.8431 ± 0.0013 Å
• c: 12.251 ± 0.002 Å
• α: 90°
• β: 93.085 ± 0.004°
• γ: 90°
• Cell volume: 669.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No