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Information card for entry 1565514
Preview
Coordinates | 1565514.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H46 O9 |
---|---|
Calculated formula | C29 H46 O9 |
SMILES | O1C(=O)[C@H](CC/C=C(/C(=O)O)C)[C@@H]2[C@H]3[C@]([C@]4([C@H](O)C[C@H]5[C@@H]([C@H](O)CC[C@]5(C)[C@@H]4[C@H](O)C3)C)C)(C)C[C@H]12.O.O |
Title of publication | Fusidane-Type Antibiotics from the Marine-Derived Fungus <i>Simplicillium</i> sp. SCSIO 41513. |
Authors of publication | Cheng, Xia; Liang, Xiao; Yao, Fei-Hua; Liu, Xiao-Bo; Qi, Shu-Hua |
Journal of publication | Journal of natural products |
Year of publication | 2021 |
Journal volume | 84 |
Journal issue | 11 |
Pages of publication | 2945 - 2952 |
a | 7.1557 ± 0.0002 Å |
b | 13.7018 ± 0.0003 Å |
c | 27.177 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2664.6 ± 0.12 Å3 |
Cell temperature | 105.9 ± 0.5 K |
Ambient diffraction temperature | 105.9 ± 0.5 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0505 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1323 |
Weighted residual factors for all reflections included in the refinement | 0.1338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1565514.html
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Users of the data should acknowledge the original authors of the
structural data.