Information card for entry 1544165

Structure parameters

• Formula: C32 H39 B2 N5 O
• Calculated formula: C32 H39 B2 N5 O
• SMILES: O1CCN([C@H]([C@H](CCCCCC)B2Nc3c4c(N2)cccc4ccc3)B2Nc3cccc4cccc(N2)c34)CC1.O1CCN([C@@H]([C@@H](CCCCCC)B2Nc3c4c(N2)cccc4ccc3)B2Nc3cccc4cccc(N2)c34)CC1
• Title of publication: Copper-Catalyzed Regio- and Stereoselective Aminoboration of Alkenylboronates.
• Authors of publication: Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4856 - 4859
• a: 11.904 ± 0.012 Å
• b: 10.2654 ± 0.001 Å
• c: 23.98 ± 0.02 Å
• α: 90°
• β: 100.941 ± 0.012°
• γ: 90°
• Cell volume: 2877 ± 4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2192
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No