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Information card for entry 7160665
Preview
| Coordinates | 7160665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H34 O5 |
|---|---|
| Calculated formula | C23 H34 O5 |
| Title of publication | Genome Mining Reveals a Highly Oxidized Bacterial Perhydrophenanthrene Meroterpenoid Smelanic Acid |
| Authors of publication | Yang, Ziyi; Pan, Xingming; Deng, Lianchun; Wang, Zengyuan; Li, Fang-Ru; Lin, Xiaoxu; Xu, Hui-Min; Dong, Liao-Bin |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 18.0532 ± 0.0005 Å |
| b | 18.0532 ± 0.0005 Å |
| c | 6.4334 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2096.76 ± 0.1 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for all reflections | 0.0732 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1534 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301697 (current) | 2025-08-09 | cif/ Adding structures of 7160665 via cif-deposit CGI script. |
7160665.cif |
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Users of the data should acknowledge the original authors of the
structural data.