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Information card for entry 1550220
Preview
| Coordinates | 1550220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N O |
|---|---|
| Calculated formula | C19 H17 N O |
| SMILES | c12ccccc1[C@@H]1[C@@H]3c4ccccc4C=C3C(C)(C)N2O1 |
| Title of publication | Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement |
| Authors of publication | Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 6.2744 ± 0.0003 Å |
| b | 14.5625 ± 0.0009 Å |
| c | 15.6489 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1429.85 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211905 (current) | 2018-11-13 | cif/ Adding structures of 1550220, 1550221, 1550222, 1550223 via cif-deposit CGI script. |
1550220.cif |
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Users of the data should acknowledge the original authors of the
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