Information card for entry 7159029

Structure parameters

• Formula: C23 H16 F3 N O0 Se
• Calculated formula: C23 H16 F3 N Se
• Title of publication: Radical selenylative cyclization of trifluoromethyl propargyl imines for the synthesis of trifluoromethyl- and seleno-azaspiro[4,5]-tetraenones and quinolines.
• Authors of publication: Wei, Guangming; Zhang, Jiajun; Wang, Haoyuan; Chen, Zhengkai; Wu, Xiao-Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 2
• Pages of publication: 284 - 288
• a: 5.759 ± 0.002 Å
• b: 16.083 ± 0.006 Å
• c: 10.639 ± 0.004 Å
• α: 90°
• β: 97.483 ± 0.004°
• γ: 90°
• Cell volume: 977 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No