Information card for entry 7130557

Structure parameters

• Formula: C30 H27 N O7 S2
• Calculated formula: C30 H27 N O7 S2
• Title of publication: Electrochemical selective annulative amino-ketalization and amino-oxygenation of 1,6-enynes
• Authors of publication: Jiang, Bo; Ji, Xiao-Shuang; Zuo, Hong-Dong; Shen, Yi-Ting; Hao, Wen-Juan; Tu, Shu-Jiang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 25.301 ± 0.002 Å
• b: 8.6273 ± 0.0006 Å
• c: 25.933 ± 0.002 Å
• α: 90°
• β: 100.502 ± 0.003°
• γ: 90°
• Cell volume: 5565.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No