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Information card for entry 7157378
Preview
| Coordinates | 7157378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,3-bis Indole |
|---|---|
| Formula | C24 H20 N2 |
| Calculated formula | C24 H20 N2 |
| Title of publication | Zinc triflate catalyzed 1,3-indolylation of cyclohexanones: tandem condensation, dehydrogenation and aromatization sequence. |
| Authors of publication | Singh, Himanshu; Tiwari, Rajat; Sharma, Poonam; Kumar, Pramod; Jain, Nidhi |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 2492 - 2500 |
| a | 15.931 ± 0.002 Å |
| b | 14.7572 ± 0.0015 Å |
| c | 8.0025 ± 0.0009 Å |
| α | 90° |
| β | 106.219 ± 0.004° |
| γ | 90° |
| Cell volume | 1806.5 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.09 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157378.cif |
| 250367 | 2020-04-05 | cif/ Updating files of 7157378 Original log message: Adding full bibliography for 7157378.cif. |
7157378.cif |
| 249113 | 2020-03-06 | cif/ Adding structures of 7157378 via cif-deposit CGI script. |
7157378.cif |
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Users of the data should acknowledge the original authors of the
structural data.