Information card for entry 7160435

Structure parameters

• Formula: C28 H27 N3 O3
• Calculated formula: C28 H27 N3 O3
• Title of publication: New axially chiral biaryl quinoline ligands specifically partnered with AgOTf enabled an enantioselective aza-Friedel-Crafts reaction.
• Authors of publication: Gao, Su-Fan; Fu, Xiao; Zhang, Qian-Mao; Tang, Ren-Zhi; Wan, Wen-Juan; Wang, Li-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4100 - 4105
• a: 10.54932 ± 0.00014 Å
• b: 10.64007 ± 0.00018 Å
• c: 21.4433 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2406.91 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No