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Information card for entry 1564682
Preview
| Coordinates | 1564682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 N2 O3 |
|---|---|
| Calculated formula | C22 H22 N2 O3 |
| SMILES | O(C(C)(C)C)C(=O)N1[C@]23N(c4c([C@@H]2CC1)cccc4)C(=O)c1c3cccc1 |
| Title of publication | Direct Photo-Induced Reductive Heck Cyclization of Indoles for Efficient Preparation of Polycyclic Indolinyl Compounds |
| Authors of publication | Yu, Daohong; To, Wai-Pong; Liu, Yungen; Wu, Liangliang; You, Tingjie; Ling, Jesse; Che, Chi-Ming |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 9.6179 ± 0.0007 Å |
| b | 15.5833 ± 0.0012 Å |
| c | 12.461 ± 0.0009 Å |
| α | 90° |
| β | 93.679 ± 0.003° |
| γ | 90° |
| Cell volume | 1863.8 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0786 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269188 (current) | 2021-09-18 | cif/ Adding structures of 1564681, 1564682 via cif-deposit CGI script. |
1564682.cif |
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Users of the data should acknowledge the original authors of the
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