Information card for entry 7123146

Structure parameters

• Formula: C24 H20 Br N O6
• Calculated formula: C24 H20 Br N O6
• Title of publication: Highly enantioselective synthesis of functionalized azepino[1,2-a]indoles via NHC-catalyzed [3+4] annulation
• Authors of publication: Zhu, Shi-Ya; Zhang, Yuanzheng; Chen, Xin-Fa; Huang, Jun; Shi, Shihui; Hui, Xin-Ping
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.787 ± 0.003 Å
• b: 23.787 ± 0.003 Å
• c: 10.19 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4993.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.1414
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No