Information card for entry 1577143

Structure parameters

• Formula: C42 H40 N4 O
• Calculated formula: C42 H40 N4 O
• Title of publication: Copper-Catalyzed Enantioselective Interrupted Azide-Alkyne Cycloaddition to Access Axially Chiral Diaryl Ethers
• Authors of publication: Wu, Ruixue; Chen, Lan; Chen, Yihan; Wu, Qimin; Chen, Qirui; Lin, Aijun; Yao, Hequan; Li, Qiuyu; Gao, Shang
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.1282 ± 0.0005 Å
• b: 12.1439 ± 0.0006 Å
• c: 25.4255 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3436 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No