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Information card for entry 7117726
Preview
| Coordinates | 7117726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H23 N O5 S |
|---|---|
| Calculated formula | C24 H23 N O5 S |
| SMILES | S(=O)(=O)(N1CC(c2occc2C1)(C(=C)OC(=O)C)c1ccccc1)c1ccc(cc1)C |
| Title of publication | A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles |
| Authors of publication | Yin-Wei Sun; Xiang-Ying Tang; Min Shi |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 13937 |
| a | 12.5654 ± 0.0009 Å |
| b | 18.5476 ± 0.0013 Å |
| c | 18.7414 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4367.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117726.cif |
| 153832 | 2015-08-31 | cif/ Adding structures of 7117722, 7117723, 7117724, 7117725, 7117726, 7117727, 7117728 via cif-deposit CGI script. |
7117726.cif |
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Users of the data should acknowledge the original authors of the
structural data.