Information card for entry 7161066

Structure parameters

• Formula: C12 H7 F4 N O2 S Se
• Calculated formula: C12 H7 F4 N O2 S Se
• Title of publication: PyfSeTs as a Novel and Photosensitive Reagent for the Green Light-Induced Arene C-H Selenenylation: A Verstile Strategy for the Synthesis of Aryl Selenides
• Authors of publication: Shi, Haoliang; Qu, Huorong; Wang, Xinyan; Wei, Jinlian; Wu, Shanchao; Zhang, Yongqiang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 6.5644 ± 0.0013 Å
• b: 8.2458 ± 0.0016 Å
• c: 13.659 ± 0.003 Å
• α: 102.402 ± 0.005°
• β: 98.371 ± 0.006°
• γ: 103.685 ± 0.005°
• Cell volume: 686.4 ± 0.2 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No