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Information card for entry 1547122
Preview
| Coordinates | 1547122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H17 N3 O2 |
|---|---|
| Calculated formula | C23 H17 N3 O2 |
| SMILES | n1(c2ncccc2)c(C2C(=O)N(c3ccccc3)C(=O)C2)cc2c1cccc2 |
| Title of publication | An Approach to 3-(Indol-2-yl)succinimide Derivatives by Manganese-Catalyzed C-H Activation. |
| Authors of publication | Liu, Shuang-Liang; Li, Yang; Guo, Jun-Ru; Yang, Guang-Chao; Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 15 |
| Pages of publication | 4042 - 4045 |
| a | 11.4016 ± 0.0011 Å |
| b | 7.4909 ± 0.0008 Å |
| c | 21.112 ± 0.002 Å |
| α | 90° |
| β | 93.186 ± 0.003° |
| γ | 90° |
| Cell volume | 1800.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.12 K |
| Number of distinct elements | 4 |
| 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 | 0.0577 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547122.cif |
| 200640 | 2017-09-12 | cif/ Adding structures of 1547122 via cif-deposit CGI script. |
1547122.cif |
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Users of the data should acknowledge the original authors of the
structural data.