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Information card for entry 1520379
Preview
| Coordinates | 1520379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H32 O5 |
|---|---|
| Calculated formula | C25 H32 O5 |
| SMILES | O1c2c(c3C[C@@H](O)CC(=O)c3c(O)c2)C[C@H]2[C@@]3([C@H](C(C(=O)CC3)(C)C)CC[C@]12C)C |
| Title of publication | Chrodrimanins I and J from the Antarctic Moss-Derived Fungus Penicillium funiculosum GWT2-24. |
| Authors of publication | Zhou, Haibo; Li, Liyuan; Wang, Wei; Che, Qian; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 6 |
| Pages of publication | 1442 - 1445 |
| a | 8.7283 ± 0.0002 Å |
| b | 25.8978 ± 0.0004 Å |
| c | 10.1531 ± 0.0002 Å |
| α | 90° |
| β | 109.86 ± 0.002° |
| γ | 90° |
| Cell volume | 2158.55 ± 0.08 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520379.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520379.cif |
| 141362 | 2015-07-09 | cif/ Updating files of 1520379, 1520380 Original log message: Adding full bibliography for 1520379--1520380.cif. |
1520379.cif |
| 138405 | 2015-06-06 | cif/ Adding structures of 1520379 via cif-deposit CGI script. |
1520379.cif |
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Users of the data should acknowledge the original authors of the
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