Information card for entry 7127981

Structure parameters

• Formula: C29 H36 B N O2
• Calculated formula: C29 H36 B N O2
• SMILES: O1C(C)(C)C(OB1CC(c1ccccc1)CN(Cc1ccccc1)Cc1ccccc1)(C)C
• Title of publication: Copper-catalyzed borylative aminomethylation of C-C double and triple bonds with N,O-acetal.
• Authors of publication: Qiu, Xianfan; Xu, Liugen; Wang, Shuxia; Dai, Ying; Feng, Yunqiu; Gong, Chang; Tao, Chuanzhou
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 26
• Pages of publication: 3279 - 3282
• a: 11.246 ± 0.016 Å
• b: 11.153 ± 0.016 Å
• c: 20.85 ± 0.03 Å
• α: 90°
• β: 92.47 ± 0.02°
• γ: 90°
• Cell volume: 2613 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No