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Information card for entry 4036713
Preview
| Coordinates | 4036713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H29 N O3 |
|---|---|
| Calculated formula | C35 H29 N O3 |
| SMILES | O=C(Cn1cc(c(c1c1ccccc1)C(=C\C(=O)OCC)/c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction. |
| Authors of publication | Li, Xiangdong; Xie, Xin; Liu, Yuanhong |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 9 |
| Pages of publication | 3688 - 3699 |
| a | 11.2211 ± 0.0014 Å |
| b | 12.2573 ± 0.0016 Å |
| c | 12.3317 ± 0.0017 Å |
| α | 64.763 ± 0.003° |
| β | 84.332 ± 0.003° |
| γ | 62.918 ± 0.002° |
| Cell volume | 1356.4 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235119 (current) | 2019-11-23 | cif/ Adding structures of 4036713 via cif-deposit CGI script. |
4036713.cif |
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Users of the data should acknowledge the original authors of the
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