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Information card for entry 1520221
Preview
| Coordinates | 1520221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H23 N |
|---|---|
| Calculated formula | C30 H23 N |
| SMILES | n1(c(cc(c1C(=C)c1ccccc1)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 | 12.0216 ± 0.0013 Å |
| b | 6.2012 ± 0.0007 Å |
| c | 30.083 ± 0.003 Å |
| α | 90° |
| β | 101.315 ± 0.003° |
| γ | 90° |
| Cell volume | 2199 ± 0.4 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 | 0.1184 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.136 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
1520221.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520221.cif |
| 140265 | 2015-07-05 | cif/ Updating files of 1520220, 1520221, 1520222 Original log message: Adding full bibliography for 1520220--1520222.cif. |
1520221.cif |
| 137801 | 2015-06-04 | cif/ Adding structures of 1520221 via cif-deposit CGI script. |
1520221.cif |
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Users of the data should acknowledge the original authors of the
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