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Information card for entry 1553403
Preview
| Coordinates | 1553403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H22 O8 |
|---|---|
| Calculated formula | C22 H22 O8 |
| SMILES | O([C@]12CC=C[C@]3(O)[C@]1(CC[C@H]1[C@@]3(C=C(OC1=O)c1ccoc1)C)COC2=O)C(=O)C |
| Title of publication | Amarisolide F, an Acylated Diterpenoid Glucoside and Related Terpenoids from Salvia amarissima. |
| Authors of publication | Fragoso-Serrano, Mabel; Ortiz-Pastrana, Naytzé; Luna-Cruz, Norma; Toscano, Rubén A; Alpuche-Solís, Angel G; Ortega, Alfredo; Bautista, Elihú |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 3 |
| Pages of publication | 631 - 635 |
| a | 6.9791 ± 0.0001 Å |
| b | 12.6221 ± 0.0002 Å |
| c | 22.9412 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2020.91 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
1553403.cif |
| 234241 | 2019-11-23 | cif/ Adding structures of 1553403 via cif-deposit CGI script. |
1553403.cif |
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Users of the data should acknowledge the original authors of the
structural data.