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Information card for entry 1556574
Preview
| Coordinates | 1556574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H25 N O6 S |
|---|---|
| Calculated formula | C24 H25 N O6 S |
| SMILES | n1c(sc2c1c(c(OC)c(O)c2c1ccc(OC)cc1)c1ccc(OC)cc1)CO.OC |
| Title of publication | Cytotoxic <i>p</i>-Terphenyls from a Marine-Derived <i>Nocardiopsis</i> Species. |
| Authors of publication | Wang, Dongyang; Wang, Yi; Ouyang, Yinfeng; Fu, Peng; Zhu, Weiming |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 12 |
| Pages of publication | 3504 - 3508 |
| a | 10.5708 ± 0.0009 Å |
| b | 10.6193 ± 0.0008 Å |
| c | 11.9805 ± 0.0011 Å |
| α | 86.943 ± 0.002° |
| β | 79.883 ± 0.002° |
| γ | 60.207 ± 0.001° |
| Cell volume | 1148.05 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1556574.cif |
| 246573 | 2020-01-04 | cif/ Updating files of 1556574 Original log message: Adding full bibliography for 1556574.cif. |
1556574.cif |
| 245134 | 2019-12-14 | cif/ Adding structures of 1556574 via cif-deposit CGI script. |
1556574.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.