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Information card for entry 1559197
Preview
| Coordinates | 1559197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H27 Cl3 N2 O8 |
|---|---|
| Calculated formula | C39 H27 Cl3 N2 O8 |
| Title of publication | <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. |
| Authors of publication | Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng |
| Journal of publication | Journal of natural products |
| Year of publication | 2020 |
| a | 20.5364 ± 0.0007 Å |
| b | 25.2316 ± 0.0006 Å |
| c | 7.01 ± 0.0002 Å |
| α | 90° |
| β | 115.214 ± 0.004° |
| γ | 90° |
| Cell volume | 3286.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1559197.cif |
| 256767 | 2020-09-26 | cif/ Adding structures of 1559197 via cif-deposit CGI script. |
1559197.cif |
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Users of the data should acknowledge the original authors of the
structural data.