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Information card for entry 1520222
Preview
| Coordinates | 1520222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H19 N |
|---|---|
| Calculated formula | C23 H19 N |
| SMILES | n1(cc(c(c1C)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade. |
| Authors of publication | Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 2984 - 2987 |
| a | 29.558 ± 0.003 Å |
| b | 6.041 ± 0.0006 Å |
| c | 19.696 ± 0.002 Å |
| α | 90° |
| β | 104.661 ± 0.002° |
| γ | 90° |
| Cell volume | 3402.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0597 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1165 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520222.cif |
| 140265 | 2015-07-05 | cif/ Updating files of 1520220, 1520221, 1520222 Original log message: Adding full bibliography for 1520220--1520222.cif. |
1520222.cif |
| 137803 | 2015-06-04 | cif/ Adding structures of 1520222 via cif-deposit CGI script. |
1520222.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.