Information card for entry 7133115

Structure parameters

• Formula: C17 H11 F3 N2 O4
• Calculated formula: C17 H11 F3 N2 O4
• SMILES: FC(F)(F)C1(O)n2c(c3c4c([nH]c(=O)c13)cccc4)cc(c2)C(=O)OC
• Title of publication: Divergent synthesis of pyrrolizine derivatives through C-H bond functionalization of pyrroles.
• Authors of publication: Wang, Manqing; Xu, Yuanshuang; Hou, Huihang; Zhang, Xinying; Fan, Xuesen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 51
• Pages of publication: 6536 - 6539
• a: 9.7758 ± 0.0004 Å
• b: 10.513 ± 0.0005 Å
• c: 11.2193 ± 0.0005 Å
• α: 90.001 ± 0.004°
• β: 112.552 ± 0.004°
• γ: 105.12 ± 0.004°
• Cell volume: 1021.51 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No