Information card for entry 7245608

Structure parameters

• Formula: C28 H27 F7 N4 O4
• Calculated formula: C28 H27 F7 N4 O4
• Title of publication: Four-component defluorinative reaction of allylic fluorides, amidines, and Cs2CO3 under transition-metal-free conditions
• Authors of publication: Chen, Yu-Lan; Sun, Li-Wen; Chen, Jia-Wei; Zhu, Ming-Quan; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 6816 - 6822
• a: 9.8007 ± 0.0008 Å
• b: 19.457 ± 0.0018 Å
• c: 15.5025 ± 0.0012 Å
• α: 90°
• β: 99.565 ± 0.007°
• γ: 90°
• Cell volume: 2915.1 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No