Information card for entry 1574745

Structure parameters

• Formula: C20 H34 N2 O4
• Calculated formula: C20 H34 N2 O4
• Title of publication: Synthesis of polysubstituted cyclobutanes through a photoredox strain-release/[3,3]-rearrangement cascade
• Authors of publication: Zhang, Fangqing; Xu, Chun; Zhang, Zichun; Yang, Zhuang; Peng, Tao; Shao, Wen; Feng, Xiaoming; Liu, Yangbin
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 11508 - 11518
• a: 26.4619 ± 0.0003 Å
• b: 6.3388 ± 0.0001 Å
• c: 26.1419 ± 0.0003 Å
• α: 90°
• β: 101.877 ± 0.001°
• γ: 90°
• Cell volume: 4291.08 ± 0.1 ų
• Cell temperature: 300.69 ± 0.1 K
• Ambient diffraction temperature: 300.69 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No