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Information card for entry 4033884
Preview
| Coordinates | 4033884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene |
|---|---|
| Chemical name | (6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene |
| Formula | C24 H22 O5 |
| Calculated formula | C24 H22 O5 |
| SMILES | O1c2c([C@H](c3ccc(OC)cc3)C[C@@H]1c1ccc(OC)cc1)cc1OCOc1c2 |
| Title of publication | Organophotoredox-Catalyzed Intermolecular Oxa-[4+2] Cycloaddition Reactions. |
| Authors of publication | Tanaka, Kenta; Omata, Daichi; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2019 |
| Journal volume | 84 |
| Journal issue | 17 |
| Pages of publication | 10669 - 10678 |
| a | 8.5792 ± 0.0001 Å |
| b | 9.5408 ± 0.0001 Å |
| c | 23.8992 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1956.21 ± 0.04 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 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 | 0.0522 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1355 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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 |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4033884.cif |
| 222457 | 2019-11-04 | cif/ Adding structures of 4033884 via cif-deposit CGI script. |
4033884.cif |
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Users of the data should acknowledge the original authors of the
structural data.