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Information card for entry 1552644
Preview
| Coordinates | 1552644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H22 O7 |
|---|---|
| Calculated formula | C22 H22 O7 |
| SMILES | O(c1c2c(cc3OCOc13)C[C@H]1[C@H]([C@@H]2c2cc3OCOc3c(OC)c2)COC1)C |
| Title of publication | Propolis Components from Stingless Bees Collected on South Sulawesi, Indonesia, and Their Xanthine Oxidase Inhibitory Activity. |
| Authors of publication | Miyata, Ryo; Sahlan, Muhamad; Ishikawa, Yoshinobu; Hashimoto, Hiroshi; Honda, Sari; Kumazawa, Shigenori |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 2 |
| Pages of publication | 205 - 210 |
| a | 11.0157 ± 0.0001 Å |
| b | 6.7595 ± 0.0001 Å |
| c | 13.0366 ± 0.0001 Å |
| α | 90° |
| β | 106.373 ± 0.001° |
| γ | 90° |
| Cell volume | 931.348 ± 0.018 Å3 |
| Cell temperature | 100.2 ± 0.5 K |
| Ambient diffraction temperature | 100.2 ± 0.5 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 | 0.0332 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| 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 |
|---|---|---|---|
| 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. |
1552644.cif |
| 222167 | 2019-11-04 | cif/ Adding structures of 1552644 via cif-deposit CGI script. |
1552644.cif |
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Users of the data should acknowledge the original authors of the
structural data.