Information card for entry 7134183

Structure parameters

• Formula: C24 H24 Br N O2 S
• Calculated formula: C24 H24 Br N O2 S
• Title of publication: High-performance anionic stereogenic-at-cobalt(III) complex/halide salts/oxone catalytic system for enantioselective halocyclization of olefins.
• Authors of publication: Fang, Yi-Jun; Wu, Xiao-Bao; Wang, Qi-Ming; Xie, Zu-Kui; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 13
• Pages of publication: 2814 - 2817
• a: 9.8681 ± 0.0002 Å
• b: 10.6446 ± 0.0002 Å
• c: 21.1836 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2225.17 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No