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Information card for entry 7225024
Preview
| Coordinates | 7225024.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H34 Cl N3 O3 |
|---|---|
| Calculated formula | C39 H34 Cl N3 O3 |
| SMILES | c1ccccc1CN1c2ccc(C)cc2C(C1=O)c1c(c2ccc(cc2)Cl)n(c2c1C(=O)CC(C2)(C)C)NC(=O)c1ccccc1 |
| Title of publication | Indium chloride catalyzed three-component reaction for synthesis of 2-((oxoindolin-3-yl)-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamides |
| Authors of publication | Jiang, Yan-Hong; Yan, Chao Guo |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 32.879 ± 0.004 Å |
| b | 11.2887 ± 0.0013 Å |
| c | 22.666 ± 0.003 Å |
| α | 90° |
| β | 127.793 ± 0.003° |
| γ | 90° |
| Cell volume | 6648 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1517 |
| Residual factor for significantly intense reflections | 0.0799 |
| Weighted residual factors for significantly intense reflections | 0.2093 |
| Weighted residual factors for all reflections included in the refinement | 0.2574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182378 (current) | 2016-04-28 | cif/ Adding structures of 7225023, 7225024, 7225025, 7225026 via cif-deposit CGI script. |
7225024.cif |
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Users of the data should acknowledge the original authors of the
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