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Information card for entry 4134575
Preview
| Coordinates | 4134575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 I N2 Pd |
|---|---|
| Calculated formula | C27 H23 I N2 Pd |
| SMILES | [Pd]1([n]2c(c3[n]1cccc3)cccc2)(I)/C(=C\1CCCc2c1cccc2)c1ccccc1 |
| Title of publication | Hydroxylamines as Bifunctional Single-Nitrogen Sources for the Rapid Assembly of Diverse Tricyclic Indole Scaffolds. |
| Authors of publication | Fan, Liangxin; Hao, Jiamao; Yu, Jingxun; Ma, Xiaojun; Liu, Jingjing; Luan, Xinjun |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 10.4805 ± 0.0019 Å |
| b | 14.527 ± 0.003 Å |
| c | 15.293 ± 0.003 Å |
| α | 90° |
| β | 100.045 ± 0.003° |
| γ | 90° |
| Cell volume | 2292.7 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0621 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249796 (current) | 2020-03-28 | cif/ Adding structures of 4134575 via cif-deposit CGI script. |
4134575.cif |
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Users of the data should acknowledge the original authors of the
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