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Information card for entry 1552647
Preview
| Coordinates | 1552647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H19 N O3 |
|---|---|
| Calculated formula | C17 H19 N O3 |
| SMILES | O[C@@]12CCN(C(=O)/C=C/c3ccccc3)[C@H]2CC(=O)CC1 |
| Title of publication | Amides and Flavonoids from the Fruit and Leaf Extracts of Melodorum siamensis. |
| Authors of publication | Jaidee, Wuttichai; Andersen, Raymond J.; Chavez, Miguel A. G.; Wang, Yan A.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Borwornpinyo, Suparerk; Laphookhieo, Surat |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 2 |
| Pages of publication | 283 - 292 |
| a | 10.7238 ± 0.001 Å |
| b | 7.28 ± 0.0006 Å |
| c | 19.487 ± 0.0017 Å |
| α | 90° |
| β | 97.39 ± 0.005° |
| γ | 90° |
| Cell volume | 1508.7 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 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. |
1552647.cif |
| 222170 | 2019-11-04 | cif/ Adding structures of 1552647 via cif-deposit CGI script. |
1552647.cif |
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Users of the data should acknowledge the original authors of the
structural data.