Information card for entry 7159819

Structure parameters

• Formula: C22 H19 F N2 O
• Calculated formula: C22 H19 F N2 O
• SMILES: Fc1cc2nc(CCCC(=O)c3ccccc3)c3n(ccc3)c2c(c1)C
• Title of publication: Copper-catalyzed oxidative cyclization of 2-(1<i>H</i>-pyrrol-1-yl)aniline and alkylsilyl peroxides: a route to pyrrolo[1,2-<i>a</i>]quinoxalines.
• Authors of publication: An, Zhenyu; Miao, Man; Sun, Fengkai; Lan, Xiao-Bing; Yu, Jian-Qiang; Guo, Xiaoli; Zhang, Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 12
• Pages of publication: 2370 - 2374
• a: 7.38752 ± 0.00008 Å
• b: 13.87031 ± 0.00012 Å
• c: 16.86229 ± 0.00017 Å
• α: 90°
• β: 102.371 ± 0.001°
• γ: 90°
• Cell volume: 1687.71 ± 0.03 ų
• Cell temperature: 149.98 ± 0.1 K
• Ambient diffraction temperature: 149.98 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No