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Information card for entry 1554892
Preview
| Coordinates | 1554892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 O4 |
|---|---|
| Calculated formula | C20 H18 O4 |
| SMILES | O1C(=C[C@H](c2ccccc2)[C@@H]2[C@@H]1Oc1c(cccc1)C2)C(=O)OC |
| Title of publication | Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways |
| Authors of publication | Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 1972 |
| a | 10.3231 ± 0.0013 Å |
| b | 8.3376 ± 0.001 Å |
| c | 10.651 ± 0.0013 Å |
| α | 90° |
| β | 116.926 ± 0.002° |
| γ | 90° |
| Cell volume | 817.35 ± 0.17 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554892.cif |
| 238183 | 2019-11-24 | cif/ Adding structures of 1554891, 1554892, 1554893 via cif-deposit CGI script. |
1554892.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.