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Information card for entry 7225025
Preview
| Coordinates | 7225025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 F N3 O5 |
|---|---|
| Calculated formula | C34 H32 F N3 O5 |
| SMILES | CCCCN1C(=O)C(c2cc(ccc12)F)c1c(c2ccc(cc2)OC)n(c2CCCC(=O)c12)NC(=O)c1ccccc1O |
| 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 | 11.0558 ± 0.0008 Å |
| b | 11.4753 ± 0.0008 Å |
| c | 13.2262 ± 0.0009 Å |
| α | 113.324 ± 0.002° |
| β | 103.927 ± 0.002° |
| γ | 94.49 ± 0.002° |
| Cell volume | 1466.93 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1361 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.1882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
7225025.cif |
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Users of the data should acknowledge the original authors of the
structural data.