Information card for entry 7160189

Structure parameters

• Formula: C17 H22 O S
• Calculated formula: C17 H22 O S
• Title of publication: Visible-light Photoredox-Catalyzed Three-Component Radical Alkyl-Acylation of [1.1.1]Propellane
• Authors of publication: Liu, Lanqin; Guo, Shengkun; Chen, Chengjun; Shen, Xiaoyu; Chen, Xiao Yun; Yu, Huaguang; Han, Ying; Sun, Qiu; Zhu, Shaoqun; Hou, Hong
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 6.4888 ± 0.001 Å
• b: 17.779 ± 0.003 Å
• c: 13.5432 ± 0.0019 Å
• α: 90°
• β: 101.669 ± 0.004°
• γ: 90°
• Cell volume: 1530.1 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.1067
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No