Information card for entry 7160288

Structure parameters

• Formula: C24 H16 Br N3
• Calculated formula: C24 H16 Br N3
• Title of publication: Construction of benzimidazole- and indole-fused azabicyclo[3.1.0]hexanes bearing a cyano-containing quaternary center from vinylsulfonium salts through sequential [3 + 2]/[2 + 1] cyclization.
• Authors of publication: Li, Yuming; Gou, Yan; Hou, Shanling; Xu, Yanwei; Yang, Yuxing; Wan, Zhihan; Fan, Zhi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1325 - 1329
• a: 12.132 ± 0.003 Å
• b: 17.534 ± 0.003 Å
• c: 12.433 ± 0.002 Å
• α: 90°
• β: 114.296 ± 0.007°
• γ: 90°
• Cell volume: 2410.5 ± 0.8 ų
• Cell temperature: 295.3 K
• Ambient diffraction temperature: 295.3 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: 0.1032
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No