Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225026
Preview
| Coordinates | 7225026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H33 Cl N4 O4 |
|---|---|
| Calculated formula | C38 H33 Cl N4 O4 |
| SMILES | n1ccccc1C(=O)Nn1c2CC(C)(C)CC(=O)c2c(C2C(=O)N(Cc3ccccc3)c3c2cc(cc3)Cl)c1c1ccc(cc1)OC |
| 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 | 11.589 ± 0.003 Å |
| b | 12.379 ± 0.003 Å |
| c | 13.886 ± 0.004 Å |
| α | 113.673 ± 0.007° |
| β | 103.852 ± 0.007° |
| γ | 101.755 ± 0.007° |
| Cell volume | 1667.6 ± 0.8 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 | 0.1643 |
| Residual factor for significantly intense reflections | 0.0811 |
| Weighted residual factors for significantly intense reflections | 0.2145 |
| Weighted residual factors for all reflections included in the refinement | 0.2604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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. |
7225026.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.