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Information card for entry 7129219
Preview
| Coordinates | 7129219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 O2 |
|---|---|
| Calculated formula | C17 H16 O2 |
| SMILES | O=C(c1ccccc1)CC1Oc2c(cc(C)cc2)C1 |
| Title of publication | Gold catalyzed efficient preparation of dihydrobenzofuran from 1,3-enyne and phenol |
| Authors of publication | Wang, Yu-Jiang; Zhang, Yuan; Qiang, Zou; Liang, Jia-Ying; Chen, Zili |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 13.9976 ± 0.0006 Å |
| b | 32.7715 ± 0.0015 Å |
| c | 5.6389 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2586.69 ± 0.19 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270580 (current) | 2021-11-11 | cif/ Adding structures of 7129219 via cif-deposit CGI script. |
7129219.cif |
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Users of the data should acknowledge the original authors of the
structural data.