Information card for entry 1574746

Structure parameters

• Formula: C19 H24 N2 O2
• Calculated formula: C19 H24 N2 O2
• 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: 9.7265 ± 0.0002 Å
• b: 14.7461 ± 0.0002 Å
• c: 12.5014 ± 0.0002 Å
• α: 90°
• β: 108.624 ± 0.002°
• γ: 90°
• Cell volume: 1699.16 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No