Information card for entry 1575612

Structure parameters

• Formula: C24 H20 F N O2
• Calculated formula: C24 H20 F N O2
• Title of publication: Fe(III)/NaBD₄-mediated regioselective deuteration/cyclization of 1,7-enynes and 1,7-dienes.
• Authors of publication: Li, Guiling; Guo, Mengshuang; Zhang, Yijia; Zhang, Xiubin; Dong, Xiaowei; Deng, Xiaotong; Liang, Zijuan; Su, Zongyuan; Zhang, Zhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 83
• Pages of publication: 16266 - 16269
• a: 11.1613 ± 0.0002 Å
• b: 20.2074 ± 0.0004 Å
• c: 8.883 ± 0.0002 Å
• α: 90°
• β: 106.633 ± 0.001°
• γ: 90°
• Cell volume: 1919.65 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No