Information card for entry 7240863

Structure parameters

• Formula: C13 H9 F6 N O2 Se
• Calculated formula: C13 H9 F6 N O2 Se
• SMILES: [Se](C(CN1C(=O)c2ccccc2C1=O)CC(F)(F)F)C(F)(F)F
• Title of publication: Metal-free fluoroalkylfluoroalkylselenolation of unactivated alkenes: incorporation of two photoinduced processes
• Authors of publication: Lei, Yingjie; Yang, Ju; Wang, Yawen; Wang, Hongying; Zhan, Yue; Jiang, Xianxing; Xu, Zhaoqing
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 15
• Pages of publication: 4878 - 4883
• a: 10.4389 ± 0.0002 Å
• b: 21.5791 ± 0.0004 Å
• c: 14.669 ± 0.0003 Å
• α: 90°
• β: 109.581 ± 0.002°
• γ: 90°
• Cell volume: 3113.27 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No