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Information card for entry 7118055
Preview
Coordinates | 7118055.cif |
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Original paper (by DOI) | HTML |
Chemical name | HYC-767-1 |
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Formula | C17 H16 I2 N2 O3 S |
Calculated formula | C17 H16 I2 N2 O3 S |
SMILES | IC(I)C1(N=C(N(S(=O)(=O)c2ccc(cc2)C)C1)c1ccccc1)O |
Title of publication | O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles. |
Authors of publication | Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 84 |
Pages of publication | 15398 - 15401 |
a | 7.2509 ± 0.0008 Å |
b | 11.487 ± 0.0014 Å |
c | 12.2569 ± 0.0015 Å |
α | 97.897 ± 0.002° |
β | 91.846 ± 0.002° |
γ | 103.895 ± 0.002° |
Cell volume | 979.4 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0645 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1514 |
Weighted residual factors for all reflections included in the refinement | 0.1613 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/7118055.html
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Users of the data should acknowledge the original authors of the
structural data.