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Information card for entry 7157325
Preview
| Coordinates | 7157325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H28 O3 |
|---|---|
| Calculated formula | C31 H28 O3 |
| Title of publication | Synthesis of chromone-containing polycyclic compounds via palladium-catalyzed [2 + 2 + 1] annulation. |
| Authors of publication | Li, Mi-Zhuan; Tong, Qi; Han, Wen-Yong; Yang, Si-Yi; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1112 - 1116 |
| a | 10.771 ± 0.0005 Å |
| b | 12.5336 ± 0.0005 Å |
| c | 17.4579 ± 0.0007 Å |
| α | 90° |
| β | 106.903 ± 0.005° |
| γ | 90° |
| Cell volume | 2254.99 ± 0.18 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0685 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157325.cif |
| 249037 | 2020-03-05 | cif/ Updating files of 7157323, 7157324, 7157325, 7157326, 7157327 Original log message: Adding full bibliography for 7157323--7157327.cif. |
7157325.cif |
| 247280 | 2020-01-28 | cif/ Adding structures of 7157323, 7157324, 7157325, 7157326, 7157327 via cif-deposit CGI script. |
7157325.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.