Information card for entry 7160560

Structure parameters

• Formula: C27 H21 N O2
• Calculated formula: C27 H21 N O2
• Title of publication: Catalytic dynamic kinetic reductive addition of simple aldehydes and aldimines with heterobiaryl triflates: harnessing both central and axial chirality.
• Authors of publication: Ni, Hui; Liu, Anyao; Fu, Xiaoying; Zhang, Xinyi; Xue, Xiaowen; Lyu, Xiang; Lin, Aijun; He, Yuli
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5666 - 5671
• a: 6.3648 ± 0.0002 Å
• b: 9.0644 ± 0.0003 Å
• c: 9.3365 ± 0.0003 Å
• α: 73.81 ± 0.001°
• β: 73.504 ± 0.001°
• γ: 85.164 ± 0.001°
• Cell volume: 495.99 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No