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Information card for entry 1518783
Preview
| Coordinates | 1518783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H16 N2 |
|---|---|
| Calculated formula | C23 H16 N2 |
| SMILES | [nH]1c2c(cccc2)cc1/C(=C\c1ccc(cc1)C#N)c1ccccc1 |
| Title of publication | Highly Stereoselective Ruthenium(II)-Catalyzed Direct C2-syn-Alkenylation of Indoles with Alkynes. |
| Authors of publication | Zhang, Wei; Wei, Jun; Fu, Shaomin; Lin, Dongen; Jiang, Huanfeng; Zeng, Wei |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 6 |
| Pages of publication | 1349 - 1352 |
| a | 14.9264 ± 0.0006 Å |
| b | 8.5389 ± 0.0003 Å |
| c | 13.3223 ± 0.0006 Å |
| α | 90° |
| β | 96.518 ± 0.004° |
| γ | 90° |
| Cell volume | 1687.02 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518783.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518783.cif |
| 134872 | 2015-04-04 | cif/ Updating files of 1518783 Original log message: Adding full bibliography for 1518783.cif. |
1518783.cif |
| 133589 | 2015-03-07 | cif/ Adding structures of 1518783 via cif-deposit CGI script. |
1518783.cif |
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Users of the data should acknowledge the original authors of the
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