Information card for entry 7124258

Structure parameters

• Formula: C26 H22 N2 O
• Calculated formula: C26 H22 N2 O
• Title of publication: Palladium-Catalyzed [3+2] Annulation of Allenyl Carbinol Acetates with C,N-Cyclic Azomethine Imines
• Authors of publication: Guo, Hongchao; Mao, Biming; Zhang, Junya; Xu, Yi; Yan, Zhengyang; Wang, Wei; Wu, Yongjun; Sun, Changqing; Zheng, Bing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.884 ± 0.007 Å
• b: 17.686 ± 0.005 Å
• c: 12.169 ± 0.004 Å
• α: 90°
• β: 115.529 ± 0.005°
• γ: 90°
• Cell volume: 4056 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No