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Information card for entry 4030171
Preview
Coordinates | 4030171.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H19 N O3 |
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Calculated formula | C23 H19 N O3 |
SMILES | O=c1n(OC)c(c(c2c1cccc2)c1ccc(OC)cc1)c1ccccc1 |
Title of publication | Metal-free iodine(III)-promoted synthesis of isoquinolones. |
Authors of publication | Chen, Zhi-Wei; Zhu, Yi-Zhou; Ou, Jin-Wang; Wang, Ya-Ping; Zheng, Jian-Yu |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 22 |
Pages of publication | 10988 - 10998 |
a | 9.953 ± 0.002 Å |
b | 12.581 ± 0.003 Å |
c | 15.107 ± 0.003 Å |
α | 90.32 ± 0.03° |
β | 97.35 ± 0.03° |
γ | 99.51 ± 0.03° |
Cell volume | 1849.7 ± 0.7 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 | 0.1286 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030171.html
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Users of the data should acknowledge the original authors of the
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