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Information card for entry 4036600
Preview
Coordinates | 4036600.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H17 N O2 |
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Calculated formula | C19 H17 N O2 |
SMILES | c1(c2c(c(nc1C)C)cccc2)C(=O)c1cc(OC)ccc1 |
Title of publication | Divergent Syntheses of Isoquinolines and Indolo[1,2-a]quinazolines by Copper-Catalyzed Cascade Annulation from 2-Haloaryloxime Acetates with Active Methylene Compounds and Indoles. |
Authors of publication | Jiang, Huanfeng; Yang, Jidan; Tang, Xiaodong; Wu, Wanqing |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 5 |
Pages of publication | 2053 - 2061 |
a | 8.6313 ± 0.0017 Å |
b | 11.567 ± 0.002 Å |
c | 15.818 ± 0.003 Å |
α | 76.11 ± 0.03° |
β | 88.94 ± 0.03° |
γ | 85.25 ± 0.03° |
Cell volume | 1527.8 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1627 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1347 |
Weighted residual factors for all reflections included in the refinement | 0.2044 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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