Information card for entry 7160287

Structure parameters

• Formula: C24 H17 N2 O S
• Calculated formula: C24 H17 N2 O S
• 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: 19.8487 ± 0.0019 Å
• b: 11.0122 ± 0.0012 Å
• c: 8.5823 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1875.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No