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Information card for entry 7159819
Preview
Coordinates | 7159819.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H19 F N2 O |
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Calculated formula | C22 H19 F N2 O |
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 Å3 |
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 |
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