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Information card for entry 1501905
Preview
Coordinates | 1501905.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H25 N3 O6 S |
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Calculated formula | C26 H25 N3 O6 S |
SMILES | S(=O)(=O)(Nc1n(c2c(c1C(CN(=O)=O)c1ccc(OC)cc1)cccc2)C(=O)C)c1ccc(cc1)C |
Title of publication | A facile route to polysubstituted indoles via three-component reaction of 2-ethynylaniline, sulfonyl azide, and nitroolefin. |
Authors of publication | Chen, Zhiyuan; Zheng, Danqing; Wu, Jie |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 848 - 851 |
a | 9.146 ± 0.004 Å |
b | 10.974 ± 0.004 Å |
c | 24.749 ± 0.01 Å |
α | 90° |
β | 90.258 ± 0.006° |
γ | 90° |
Cell volume | 2484 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0851 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1745 |
Weighted residual factors for all reflections included in the refinement | 0.1866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1501905.html
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Users of the data should acknowledge the original authors of the
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