Information card for entry 1576749

Structure parameters

• Formula: C16 H8 F2
• Calculated formula: C16 H8 F2
• Title of publication: Organic-inorganic perovskite ferroelectric catalytic selective alkyne coupling under ultrasound sonication.
• Authors of publication: Qi, Jun-Chao; Chen, Xiao-Gang; Wang, Zhen-Yu; Tang, Yuan-Yuan; Song, Xian-Jiang; Qin, Yan; Lv, Hui-Peng; Xiong, Ren-Gen; Liao, Wei-Qiang
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 1792 - 1800
• a: 3.8729 ± 0.0001 Å
• b: 5.8479 ± 0.0002 Å
• c: 25.1558 ± 0.0007 Å
• α: 90°
• β: 91.054 ± 0.003°
• γ: 90°
• Cell volume: 569.64 ± 0.03 ų
• Cell temperature: 252.99 ± 0.1 K
• Ambient diffraction temperature: 252.99 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No