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Information card for entry 1555370
Preview
| Coordinates | 1555370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H16 O5 |
|---|---|
| Calculated formula | C19 H16 O5 |
| SMILES | C1(=O)C=C(C[C@@]2(O)CC(=O)c3c(c4c(O)cccc4cc3[C@@H]12)O)C |
| Title of publication | Heterologous Expression of Fluostatin Gene Cluster Leads to a Bioactive Heterodimer. |
| Authors of publication | Yang, Chunfang; Huang, Chunshuai; Zhang, Wenjun; Zhu, Yiguang; Zhang, Changsheng |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 5324 - 5327 |
| a | 7.0727 ± 0.0002 Å |
| b | 8.9761 ± 0.0008 Å |
| c | 11.4306 ± 0.0005 Å |
| α | 90° |
| β | 96.806 ± 0.004° |
| γ | 90° |
| Cell volume | 720.56 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1555370.cif |
| 238567 | 2019-11-24 | cif/ Adding structures of 1555370 via cif-deposit CGI script. |
1555370.cif |
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Users of the data should acknowledge the original authors of the
structural data.