Information card for entry 7130124

Structure parameters

• Formula: C36 H28 B F15 N
• Calculated formula: C36 H28 B F15 N
• Title of publication: Metal-free trans-hydroboration without a B-H bond: reactions of propargyl amines with Lewis acidic boranes
• Authors of publication: Wang, Jingjing; Zhou, Haiyu; Wei, Junhui; Liu, Fei; Wang, Tongdao
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.053 ± 0.005 Å
• b: 16.413 ± 0.007 Å
• c: 18.289 ± 0.009 Å
• α: 90°
• β: 90.9 ± 0.014°
• γ: 90°
• Cell volume: 3317 ± 3 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.1728
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No