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Information card for entry 1559809
Preview
| Coordinates | 1559809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H22 O4 |
|---|---|
| Calculated formula | C15 H22 O4 |
| SMILES | O1[C@H]2[C@]3(OC3)[C@]([C@H](O)C2)([C@@]2([C@H]1C=C(CC2)CO)C)C |
| Title of publication | Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2. |
| Authors of publication | Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun |
| Journal of publication | Journal of agricultural and food chemistry |
| Year of publication | 2020 |
| Journal volume | 68 |
| Journal issue | 52 |
| Pages of publication | 15440 - 15448 |
| a | 22.252 ± 0.002 Å |
| b | 6.8553 ± 0.0006 Å |
| c | 8.7551 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1335.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1309 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.1901 |
| Weighted residual factors for all reflections included in the refinement | 0.2334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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. |
1559809.cif |
| 260431 | 2021-01-04 | cif/ Updating files of 1559808, 1559809, 1559810 Original log message: Adding full bibliography for 1559808--1559810.cif. |
1559809.cif |
| 259965 | 2020-12-19 | cif/ Adding structures of 1559809 via cif-deposit CGI script. |
1559809.cif |
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Users of the data should acknowledge the original authors of the
structural data.