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Information card for entry 7155956
Preview
| Coordinates | 7155956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H14 Cl3 N3 |
|---|---|
| Calculated formula | C24 H14 Cl3 N3 |
| SMILES | Clc1c2c3c([nH]c2ccc1)c1c2c([nH]c1c(c3)c1c(Cl)cccc1N)cccc2Cl |
| Title of publication | Regioselective synthesis of 2,3′-biindoles mediated by an NBS-induced homo-coupling of indoles |
| Authors of publication | Liu, Liangxian; Huang, Panpan; Peng, Xiangjun; Hu, Dan; Liao, Huiwu; Tang, Shaobin |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 8.9064 ± 0.0008 Å |
| b | 11.4166 ± 0.0009 Å |
| c | 12.9485 ± 0.0012 Å |
| α | 108.992 ± 0.005° |
| β | 90.76 ± 0.005° |
| γ | 104.392 ± 0.005° |
| Cell volume | 1199.49 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.12 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.2677 |
| Weighted residual factors for all reflections included in the refinement | 0.2951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202471 (current) | 2017-11-01 | cif/ Adding structures of 7155956 via cif-deposit CGI script. |
7155956.cif |
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Users of the data should acknowledge the original authors of the
structural data.