Information card for entry 7220087

Structure parameters

• Formula: C28 H26 N2 O3
• Calculated formula: C28 H26 N2 O3
• Title of publication: Phosphine-catalyzed [4 + 3] Cycloaddition Reaction of Aromatic Azomethine Imines with Allenoates
• Authors of publication: Guo, Hongchao; Li, Zhen; Yu, Hao; Feng, Yalin; Hou, Zhanfeng; Zhang, Lei; Yang, Wenjun; Wu, Yang; Xiao, Yumei
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.5503 ± 0.0019 Å
• b: 17.424 ± 0.004 Å
• c: 15.187 ± 0.003 Å
• α: 90°
• β: 97.211 ± 0.003°
• γ: 90°
• Cell volume: 2244.7 ± 0.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No