Information card for entry 7220086

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: 9.4797 ± 0.0019 Å
• b: 27.33 ± 0.006 Å
• c: 9.775 ± 0.002 Å
• α: 90°
• β: 117.1 ± 0.03°
• γ: 90°
• Cell volume: 2254.5 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No