Information card for entry 7156604

Structure parameters

• Formula: C25 H24 Br N3 O
• Calculated formula: C25 H24 Br N3 O
• Title of publication: Cross 1,3-dipolar cycloadditions of C,N-cyclic azomethine imines with an N-benzyl azomethine ylide: facile access to fused tricyclic 1,2,4-hexahydrotriazines.
• Authors of publication: Wang, Kai-Kai; Li, Yan-Li; Wang, Zhan-Yong; Hu, Meng-Wei; Qiu, Ting-Ting; Zhu, Bao-Ku
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 244 - 247
• a: 10.1801 ± 0.0004 Å
• b: 10.2257 ± 0.0014 Å
• c: 21.1176 ± 0.0012 Å
• α: 90°
• β: 103.581 ± 0.01°
• γ: 90°
• Cell volume: 2136.8 ± 0.3 ų
• Number of distinct elements: 5
• 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: 0.106
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No