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Information card for entry 7216185
Preview
| Coordinates | 7216185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H19 N |
|---|---|
| Calculated formula | C20 H19 N |
| SMILES | c12ccccc1CCC=C2c1c(C)n(c2c1cccc2)C |
| Title of publication | Brønsted acid ionic liquid catalyzed facile synthesis of 3-vinylindoles through direct C3 alkenylation of indoles with simple ketones |
| Authors of publication | Taheri, Amir; Liu, Changhui; Lai, Bingbing; Cheng, Cheng; Pan, Xiaojuan; Gu, Yanlong |
| Journal of publication | Green Chemistry |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 8 |
| Pages of publication | 3715 |
| a | 7.859 ± 0.004 Å |
| b | 7.981 ± 0.004 Å |
| c | 23.406 ± 0.012 Å |
| α | 90° |
| β | 92.401 ± 0.009° |
| γ | 90° |
| Cell volume | 1466.8 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1756 |
| Residual factor for significantly intense reflections | 0.1541 |
| Weighted residual factors for significantly intense reflections | 0.498 |
| Weighted residual factors for all reflections included in the refinement | 0.5295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7216185.cif |
| 180492 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/61. |
7216185.cif |
| 121726 | 2014-08-08 | cif/ Updating files of 7216184, 7216185 Original log message: Adding full bibliography for 7216184--7216185.cif. |
7216185.cif |
| 114597 | 2014-05-28 | cif/ Adding structures of 7216184, 7216185 via cif-deposit CGI script. |
7216185.cif |
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Users of the data should acknowledge the original authors of the
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