Information card for entry 7157503

Structure parameters

• Formula: C14 H18 B N O2
• Calculated formula: C14 H18 B N O2
• Title of publication: Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.
• Authors of publication: Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4390 - 4394
• a: 10.372 ± 0.0003 Å
• b: 12.8487 ± 0.0004 Å
• c: 21.0007 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2798.69 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No