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Information card for entry 1503464
Preview
| Coordinates | 1503464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Asperolide A |
|---|---|
| Formula | C16 H16 O5 |
| Calculated formula | C16 H16 O5 |
| SMILES | O=C1OCC2=C[C@@H]3OC(=O)[C@@]4(C=C[C@H](O)[C@]([C@H]34)(C2=C1)C)C |
| Title of publication | Asperolides A-C, Tetranorlabdane Diterpenoids from the Marine Alga-Derived Endophytic Fungus Aspergillus wentii EN-48. |
| Authors of publication | Sun, Hao-Fen; Li, Xiao-Ming; Meng, Li; Cui, Chuan-Ming; Gao, Shu-Shan; Li, Chun-Shun; Huang, Cai-Guo; Wang, Bin-Gui |
| Journal of publication | Journal of natural products |
| Year of publication | 2012 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 148 - 152 |
| a | 17.48 ± 0.04 Å |
| b | 7.99 ± 0.018 Å |
| c | 12.93 ± 0.03 Å |
| α | 90° |
| β | 132.34 ± 0.03° |
| γ | 90° |
| Cell volume | 1335 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1361 |
| Residual factor for significantly intense reflections | 0.0922 |
| Weighted residual factors for significantly intense reflections | 0.2362 |
| Weighted residual factors for all reflections included in the refinement | 0.2889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503464.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503464.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503464.cif |
| 37846 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503464 via cif-deposit CGI script. |
1503464.cif |
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Users of the data should acknowledge the original authors of the
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