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Information card for entry 1545234
Preview
| Coordinates | 1545234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N4 O2 S |
|---|---|
| Calculated formula | C24 H22 N4 O2 S |
| SMILES | S(=O)(=O)(n1nnc(c1NC(c1ccccc1)=C)c1ccc(cc1)C)c1ccc(C)cc1 |
| Title of publication | One-Pot Three-Component Synthesis of Enamine-Functionalized 1,2,3-Triazoles via Cu-Catalytic Azide-Alkyne Click (CuAAC) and Cu-Catalyzed Vinyl Nitrene Transfer Sequence. |
| Authors of publication | Zhou, Wei; Zhang, Min; Li, Hanhui; Chen, Wanzhi |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 1 |
| Pages of publication | 10 - 13 |
| a | 7.1962 ± 0.0005 Å |
| b | 9.4529 ± 0.0007 Å |
| c | 16.5643 ± 0.0012 Å |
| α | 99.095 ± 0.006° |
| β | 99.786 ± 0.006° |
| γ | 91.947 ± 0.006° |
| Cell volume | 1094.28 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0829 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1588 |
| Weighted residual factors for all reflections included in the refinement | 0.1804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191326 (current) | 2017-02-04 | cif/ Adding structures of 1545234 via cif-deposit CGI script. |
1545234.cif |
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Users of the data should acknowledge the original authors of the
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