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Information card for entry 1545127
Preview
| Coordinates | 1545127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 O6 |
|---|---|
| Calculated formula | C19 H20 O6 |
| SMILES | O(c1c(c(O)cc(OC)c1OC)C(=O)/C=C/c1ccc(OC)cc1)C |
| Title of publication | Flavonoids from Erythrina schliebenii. |
| Authors of publication | Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté |
| Journal of publication | Journal of natural products |
| Year of publication | 2017 |
| Journal volume | 80 |
| Journal issue | 2 |
| Pages of publication | 377 - 383 |
| a | 13.1824 ± 0.0002 Å |
| b | 15.15072 ± 0.00019 Å |
| c | 8.32489 ± 0.00011 Å |
| α | 90° |
| β | 98.5002 ± 0.0013° |
| γ | 90° |
| Cell volume | 1644.41 ± 0.04 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0275 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545127.cif |
| 193526 | 2017-03-04 | cif/ Updating files of 1545126, 1545127, 1545128, 1545129 Original log message: Adding full bibliography for 1545126--1545129.cif. |
1545127.cif |
| 190840 | 2017-01-24 | cif/ Adding structures of 1545127 via cif-deposit CGI script. |
1545127.cif |
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Users of the data should acknowledge the original authors of the
structural data.