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Information card for entry 1556714
Preview
Coordinates | 1556714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H32 O8 |
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Calculated formula | C27 H32 O8 |
SMILES | O(C(=O)C)[C@H]1C2=C([C@@]3(CC[C@@]2([C@]24C(=C)[C@@]1(C(=O)[C@]4(O)[C@@H](OC2=O)C)C)C)C=CC(=O)OC3(C)C)C |
Title of publication | Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus |
Authors of publication | Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui |
Journal of publication | Journal of Natural Products |
Year of publication | 2019 |
a | 12.2786 ± 0.0001 Å |
b | 12.9947 ± 0.0001 Å |
c | 15.2581 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2434.53 ± 0.03 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 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 | 0.0296 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556714.html
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Users of the data should acknowledge the original authors of the
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