Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516008
Preview
| Coordinates | 1516008.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H22 N4 O4 |
|---|---|
| Calculated formula | C23 H22 N4 O4 |
| SMILES | O[C@@]1(c2c(NC1=O)cccc2)C[C@H]1n2c(nc3c(c2=O)cccc3)[C@H](NC1=O)C(C)C |
| 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 | 10.8171 ± 0.0004 Å |
| b | 6.2921 ± 0.0003 Å |
| c | 15.093 ± 0.0005 Å |
| α | 90° |
| β | 96.093 ± 0.003° |
| γ | 90° |
| Cell volume | 1021.46 ± 0.07 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
1516008.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. |
1516008.cif |
| 113212 | 2014-05-08 | cif/ Adding structures of 1516008 via cif-deposit CGI script. |
1516008.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.