Information card for entry 7131160

Structure parameters

• Formula: C19 H24 F N O2
• Calculated formula: C19 H24 F N O2
• SMILES: FC(=C1\C(c2ccccc2)C(CC1=O)(C)C)\C(=O)N(CC)CC
• Title of publication: Cu-catalyzed cascade difluoroalkylation/5-<i>endo</i> cyclization/β-fluorine cleavage of ynones.
• Authors of publication: Su, Jingwen; Guo, Wenbin; Liu, Yi; Kong, Lichun; Zheng, Hanliang; Zhu, Gangguo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 13
• Pages of publication: 1821 - 1824
• a: 6.2396 ± 0.0002 Å
• b: 9.9099 ± 0.0004 Å
• c: 14.5635 ± 0.0006 Å
• α: 98.24 ± 0.002°
• β: 98.468 ± 0.002°
• γ: 91.823 ± 0.002°
• Cell volume: 880.22 ± 0.06 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0831
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No