Information card for entry 7156656

Structure parameters

• Formula: C29 H35 B N2 O6
• Calculated formula: C29 H35 B N2 O6
• Title of publication: Stereoselective synthesis of all-cis boryl tetrahydroquinolines via copper-catalyzed regioselective addition/cyclization of o-aldiminyl cinnamate with B₂Pin₂.
• Authors of publication: Bi, Ya-Ping; Wang, He-Min; Qu, Hong-Yu; Liang, Xian-Chen; Zhou, Ying; Li, Xue-Ying; Xu, Defeng; Shen, Mei-Hua; Xu, Hua-Dong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1542 - 1546
• a: 16.0337 ± 0.0016 Å
• b: 12.9982 ± 0.0013 Å
• c: 14.006 ± 0.0014 Å
• α: 90°
• β: 99.941 ± 0.003°
• γ: 90°
• Cell volume: 2875.2 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No