Information card for entry 7135043

Structure parameters

• Formula: C20 H22 N2 O3
• Calculated formula: C20 H22 N2 O3
• Title of publication: Dehalogenation hydrolysis of CF₂Br₂ enables four-component aminocarbonylation <i>via</i> photocatalytic radical-polar crossover.
• Authors of publication: Huang, Yinghong; Zheng, Renhua; Cheng, Xiaomeng; Geng, Xiao; Wang, Lei; Zhu, Bihong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 87
• Pages of publication: 17033 - 17036
• a: 9.8569 ± 0.0002 Å
• b: 13.5366 ± 0.0002 Å
• c: 13.7081 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1829.06 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No