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Information card for entry 7125075
Preview
| Coordinates | 7125075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H22 O4 |
|---|---|
| Calculated formula | C26 H22 O4 |
| Title of publication | Hypoiodite-catalysed oxidative cyclisation of Michael adducts of chalcones with 1,3-dicarbonyl compounds: a facile and versatile approach to substituted furans and cyclopropanes. |
| Authors of publication | Gao, Wen-Chao; Hu, Fei; Tian, Jun; Li, Xing; Wei, Wen-Long; Chang, Hong-Hong |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 89 |
| Pages of publication | 13097 - 13100 |
| a | 8.5852 ± 0.0006 Å |
| b | 15.905 ± 0.0012 Å |
| c | 15.6721 ± 0.0012 Å |
| α | 90° |
| β | 95.176 ± 0.002° |
| γ | 90° |
| Cell volume | 2131.3 ± 0.3 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1198 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7125075.cif |
| 234488 | 2019-11-23 | cif/ Adding structures of 7125074, 7125075 via cif-deposit CGI script. |
7125075.cif |
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Users of the data should acknowledge the original authors of the
structural data.