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Information card for entry 7216184
Preview
| Coordinates | 7216184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N |
|---|---|
| Calculated formula | C23 H19 N |
| SMILES | c1(c(c2ccccc2n1C)C(=C)c1ccccc1)c1ccccc1 |
| 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 | 9.2869 ± 0.0019 Å |
| b | 9.636 ± 0.002 Å |
| c | 11.202 ± 0.002 Å |
| α | 84.187 ± 0.003° |
| β | 72.065 ± 0.003° |
| γ | 64.104 ± 0.003° |
| Cell volume | 857.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| 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. |
7216184.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. |
7216184.cif |
| 121726 | 2014-08-08 | cif/ Updating files of 7216184, 7216185 Original log message: Adding full bibliography for 7216184--7216185.cif. |
7216184.cif |
| 114597 | 2014-05-28 | cif/ Adding structures of 7216184, 7216185 via cif-deposit CGI script. |
7216184.cif |
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Users of the data should acknowledge the original authors of the
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