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Information card for entry 4036343
Preview
| Coordinates | 4036343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 O2 |
|---|---|
| Calculated formula | C20 H22 O2 |
| SMILES | O1c2c(cccc2)[C@H]2O[C@H](C[C@@H]2C1(C)C)c1ccc(cc1)C |
| Title of publication | Synthesis of Furo[3,2-c]benzopyrans via an Intramolecular [4 + 2] Cycloaddition Reaction of o-Quinonemethides. |
| Authors of publication | Zhao, Li-Ming; Zhang, Ai-Li; Gao, Hua-Shuai; Zhang, Jie-Huan |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 20 |
| Pages of publication | 10353 - 10358 |
| a | 8.033 ± 0.002 Å |
| b | 10.739 ± 0.003 Å |
| c | 18.778 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1619.9 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234579 (current) | 2019-11-23 | cif/ Adding structures of 4036343 via cif-deposit CGI script. |
4036343.cif |
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Users of the data should acknowledge the original authors of the
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