Information card for entry 7157676

Structure parameters

• Formula: C34 H24 Br N O4
• Calculated formula: C34 H24 Br N O4
• Title of publication: Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.
• Authors of publication: Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6916 - 6926
• a: 11.571 ± 0.003 Å
• b: 17.156 ± 0.005 Å
• c: 13.431 ± 0.004 Å
• α: 90°
• β: 91.359 ± 0.009°
• γ: 90°
• Cell volume: 2665.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.181
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2623
• Weighted residual factors for all reflections included in the refinement: 0.3215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No