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Information card for entry 1516006
Preview
| Coordinates | 1516006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H30 N4 O7 |
|---|---|
| Calculated formula | C29 H30 N4 O7 |
| SMILES | O(C(=O)C)[C@@H](C(C)C)c1n([C@H]2C(=O)O[C@@]3([C@@H]4N(O)C(C(=O)N4c4c3cccc4)(C)C)C2)c(=O)c2c(n1)cccc2 |
| Title of publication | Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41. |
| Authors of publication | Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai |
| Journal of publication | Journal of natural products |
| Year of publication | 2013 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 1133 - 1140 |
| a | 9.581 ± 0.0001 Å |
| b | 10.936 ± 0.0001 Å |
| c | 26.3804 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2764.08 ± 0.04 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0289 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516006.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. |
1516006.cif |
| 113210 | 2014-05-08 | cif/ Adding structures of 1516006 via cif-deposit CGI script. |
1516006.cif |
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Users of the data should acknowledge the original authors of the
structural data.