Information card for entry 4038641

Structure parameters

• Formula: C24 H14 F3 N O
• Calculated formula: C24 H14 F3 N O
• SMILES: FC(F)(F)c1ccc(c2cc3n4c2c(c2ccccc2)c(C=O)c4ccc3)cc1
• Title of publication: Synthesis of Pyrrolo[2,1,5-cd]indolizine Rings via Visible-Light-Induced Intermolecular [3+2] Cycloaddition of Indolizines and Alkynes.
• Authors of publication: Zhang, Yu; Yu, Yue; Liang, Bing-Bing; Pei, Yong-Yan; Liu, Xiang; Yao, Hua-Gang; Cao, Hua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 21.308 ± 0.007 Å
• b: 10.085 ± 0.002 Å
• c: 8.125 ± 0.002 Å
• α: 90°
• β: 95.72 ± 0.02°
• γ: 90°
• Cell volume: 1737.3 ± 0.8 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1077
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1954
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No