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Information card for entry 1558883
Preview
Coordinates | 1558883.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H33 O5.5 |
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Calculated formula | C20 H33 O5.5 |
SMILES | OC(=O)[C@]1(CCC[C@@]2([C@]3(O)[C@](O)(CC[C@@]12O)C[C@@](CC3)(C=C)C)C)C.O |
Title of publication | Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. |
Authors of publication | Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 8 |
Pages of publication | 2528 - 2536 |
a | 25.917 ± 0.003 Å |
b | 12.6548 ± 0.0016 Å |
c | 13.9501 ± 0.0015 Å |
α | 90° |
β | 118.868 ± 0.004° |
γ | 90° |
Cell volume | 4006.7 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.1521 |
Residual factor for significantly intense reflections | 0.1038 |
Weighted residual factors for significantly intense reflections | 0.2491 |
Weighted residual factors for all reflections included in the refinement | 0.3021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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