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Information card for entry 4036715
Preview
| Coordinates | 4036715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H33 N O2 |
|---|---|
| Calculated formula | C42 H33 N O2 |
| SMILES | n12cc(cc(c1c(c(c2c1ccccc1)C(=C)c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)cc1)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 | 6.3888 ± 0.0011 Å |
| b | 21.936 ± 0.004 Å |
| c | 22.578 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3164.2 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.076 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235122 (current) | 2019-11-23 | cif/ Adding structures of 4036715 via cif-deposit CGI script. |
4036715.cif |
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Users of the data should acknowledge the original authors of the
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