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Information card for entry 1546002
Preview
| Coordinates | 1546002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 N2 |
|---|---|
| Calculated formula | C28 H30 N2 |
| SMILES | C1(=C(c2c(N(C1=NC(C)C)C(C)C)ccc(c2)C)c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Quinoline Derivatives via Cu-Catalyzed Cascade Annulation of Heterocumulenes, Alkynes, and Diaryliodonium Salts |
| Authors of publication | Chi, Yue; Yan, Haihan; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 10.393 ± 0.0007 Å |
| b | 11.0108 ± 0.0013 Å |
| c | 11.0248 ± 0.0012 Å |
| α | 87.324 ± 0.009° |
| β | 66.406 ± 0.009° |
| γ | 79.801 ± 0.008° |
| Cell volume | 1137.5 ± 0.2 Å3 |
| Cell temperature | 180 ± 0.1 K |
| Ambient diffraction temperature | 180 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0935 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196597 (current) | 2017-05-10 | cif/ Adding structures of 1546002, 1546003 via cif-deposit CGI script. |
1546002.cif |
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Users of the data should acknowledge the original authors of the
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