Information card for entry 4038079

Structure parameters

• Formula: C20 H33 B2 N O4
• Calculated formula: C20 H33 B2 N O4
• SMILES: O1B(N(CCc2ccccc2)B2OC(C(O2)(C)C)(C)C)OC(C1(C)C)(C)C
• Title of publication: Aluminum-Catalyzed Selective Hydroboration of Nitriles and Alkynes: A Multifunctional Catalyst.
• Authors of publication: Sarkar, Nabin; Bera, Subhadeep; Nembenna, Sharanappa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 7
• Pages of publication: 4999 - 5009
• a: 12.0036 ± 0.0003 Å
• b: 24.1961 ± 0.0006 Å
• c: 15.6222 ± 0.0004 Å
• α: 90°
• β: 107.779 ± 0.003°
• γ: 90°
• Cell volume: 4320.6 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No