Information card for entry 1574597

Structure parameters

• Formula: C18 H19 N3 S
• Calculated formula: C18 H19 N3 S
• Title of publication: Precise construction of spiro stereocenters via enantioselective radical addition through modulating photocatalysis from redox to energy transfer
• Authors of publication: Liu, Fayu; Guo, Yanqi; Lu, Weidong; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 10555 - 10562
• a: 20.1236 ± 0.0005 Å
• b: 7.0187 ± 0.0003 Å
• c: 12.0117 ± 0.0004 Å
• α: 90°
• β: 97.82 ± 0.003°
• γ: 90°
• Cell volume: 1680.77 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No