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Information card for entry 7125678
Preview
| Coordinates | 7125678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H20 O7 |
|---|---|
| Calculated formula | C21 H20 O7 |
| Title of publication | Synthesis of 2-alkenylfurans via a Ag(i)-catalyzed tandem cyclization/cross-coupling reaction of enynones with iodonium ylides. |
| Authors of publication | Peng, Haiyun; Wan, Yinbo; Zhang, Yu; Deng, Guisheng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 1417 - 1420 |
| a | 12.1107 ± 0.0002 Å |
| b | 12.1107 ± 0.0002 Å |
| c | 52.4973 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7699.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7125678.cif |
| 247615 | 2020-02-04 | cif/ Updating files of 7125678 Original log message: Adding full bibliography for 7125678.cif. |
7125678.cif |
| 245464 | 2019-12-21 | cif/ Adding structures of 7125678 via cif-deposit CGI script. |
7125678.cif |
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Users of the data should acknowledge the original authors of the
structural data.