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Information card for entry 4036714
Preview
| Coordinates | 4036714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H25 N O |
|---|---|
| Calculated formula | C33 H25 N O |
| SMILES | n12c(cc(c1c(cc(c2)c1ccccc1)c1ccc(OC)cc1)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 | 9.5214 ± 0.0014 Å |
| b | 10.2787 ± 0.0016 Å |
| c | 12.4442 ± 0.0019 Å |
| α | 83.817 ± 0.004° |
| β | 81.424 ± 0.003° |
| γ | 88.874 ± 0.004° |
| Cell volume | 1197.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0895 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235121 (current) | 2019-11-23 | cif/ Adding structures of 4036714 via cif-deposit CGI script. |
4036714.cif |
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Users of the data should acknowledge the original authors of the
structural data.