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Information card for entry 7108862
Preview
| Coordinates | 7108862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 O3 |
|---|---|
| Calculated formula | C17 H16 O3 |
| Title of publication | A mild method for generation of o-quinone methides under basic conditions. The facile synthesis of trans-2,3-dihydrobenzofurans |
| Authors of publication | Mu-Wang Chen; Liang-Liang Cao; Zhi-Shi Ye; Guo-Fang Jiang; Yong-Gui Zhou |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 16 |
| Pages of publication | 1660 - 1662 |
| a | 9.7194 ± 0.0011 Å |
| b | 8.3104 ± 0.001 Å |
| c | 17.6639 ± 0.0019 Å |
| α | 90° |
| β | 97.935 ± 0.002° |
| γ | 90° |
| Cell volume | 1413.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0711 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| 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 | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.