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Information card for entry 1547109
Preview
Coordinates | 1547109.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H18 N4 O2 S |
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Calculated formula | C17 H18 N4 O2 S |
SMILES | S(=O)(=O)(N(c1nn(nc1c1ccccc1)C)C)c1ccc(cc1)C |
Title of publication | Copper-Catalyzed Tandem Reaction of Terminal Alkynes and Sulfonyl Azides for the Assembly of Substituted Aminotriazoles. |
Authors of publication | Zheng, Xuchun; Wan, Yanjun; Ling, Fei; Ma, Cheng |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 14 |
Pages of publication | 3859 - 3862 |
a | 9.7392 ± 0.0008 Å |
b | 10.1552 ± 0.0008 Å |
c | 10.2805 ± 0.0008 Å |
α | 100.715 ± 0.007° |
β | 102.225 ± 0.007° |
γ | 114.844 ± 0.008° |
Cell volume | 857.35 ± 0.15 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0883 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1417 |
Weighted residual factors for all reflections included in the refinement | 0.169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/1547109.html
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Users of the data should acknowledge the original authors of the
structural data.