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Information card for entry 1543003
Preview
| Coordinates | 1543003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H21 Cl O3 S |
|---|---|
| Calculated formula | C24 H21 Cl O3 S |
| SMILES | Cl/C=C(CC(S(=O)(=O)c1ccc(cc1)C)C(=O)c1ccccc1)/c1ccccc1 |
| Title of publication | Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. |
| Authors of publication | Chang, Meng-Yang; Cheng, Yu-Chieh |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 7 |
| Pages of publication | 1682 - 1685 |
| a | 17.1277 ± 0.0009 Å |
| b | 11.8028 ± 0.0006 Å |
| c | 22.7698 ± 0.0013 Å |
| α | 90° |
| β | 108.933 ± 0.003° |
| γ | 90° |
| Cell volume | 4354 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0748 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543003.cif |
| 181394 | 2016-04-04 | cif/ Adding structures of 1543003 via cif-deposit CGI script. |
1543003.cif |
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Users of the data should acknowledge the original authors of the
structural data.