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Information card for entry 7127753
Preview
| Coordinates | 7127753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H19 Cl |
|---|---|
| Calculated formula | C24 H19 Cl |
| SMILES | Clc1ccc(cc1)C(=C\C=C/C=C/c1ccccc1)/c1ccccc1 |
| Title of publication | Stereoselective synthesis of conjugated trienes <i>via</i> 1,4-palladium migration/Heck sequence. |
| Authors of publication | Xue, Ze-Jian; Li, Meng-Yao; Zhu, Bin-Bin; He, Zhi-Tao; Feng, Chen-Guo; Lin, Guo-Qiang |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 92 |
| Pages of publication | 14420 - 14422 |
| a | 10.8825 ± 0.001 Å |
| b | 21.5798 ± 0.0016 Å |
| c | 8.2395 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1935 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7127753.cif |
| 260470 | 2021-01-04 | cif/ Adding structures of 7127753 via cif-deposit CGI script. |
7127753.cif |
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Users of the data should acknowledge the original authors of the
structural data.