Information card for entry 1566847

Structure parameters

• Formula: C15 H21 N O2
• Calculated formula: C15 H21 N O2
• Title of publication: Selective Radical Cascade (4+2) Annulation with Olefins towards the Synthesis of Chroman Derivatives via Organo-Photoredox Catalysis
• Authors of publication: Guan, Zhipeng; Zhong, Xingxing; Ye, Yayu; Li, Xiangwei; Cong, Hengjiang; Yi, Hong; Zhang, Heng; Huang, Zhiliang; Lei, Aiwen
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.7766 ± 0.0001 Å
• b: 13.914 ± 0.0002 Å
• c: 21.1903 ± 0.0003 Å
• α: 90°
• β: 97.758 ± 0.001°
• γ: 90°
• Cell volume: 2856.17 ± 0.06 ų
• Cell temperature: 274 ± 2 K
• Ambient diffraction temperature: 274 ± 2 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: 0.0627
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No