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Information card for entry 1553557
Preview
| Coordinates | 1553557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H18 O2 |
|---|---|
| Calculated formula | C25 H18 O2 |
| SMILES | o1c(c2ccccc2)c(c2ccc(OC)cc2)c2c1c1ccccc1cc2 |
| Title of publication | Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans |
| Authors of publication | Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G. |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2017 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 972 |
| a | 14.3717 ± 0.0006 Å |
| b | 5.917 ± 0.0002 Å |
| c | 21.4597 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1824.88 ± 0.12 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Residual factor for all reflections | 0.1073 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1467 |
| Weighted residual factors for all reflections included in the refinement | 0.1967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0503 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235134 (current) | 2019-11-23 | cif/ Adding structures of 1553557, 1553558 via cif-deposit CGI script. |
1553557.cif |
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Users of the data should acknowledge the original authors of the
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