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Information card for entry 1552588
Preview
Coordinates | 1552588.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H36 O5 |
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Calculated formula | C25 H36 O5 |
SMILES | C1[C@@H]2C(=CC(=O)C2=C([C@@H](C[C@@H]2[C@]1(C)CC[C@]12O[C@H](C[C@@H]1C)/C=C(/CO)C)O)CO)C |
Title of publication | Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic <i>Bipolaris</i> sp. Fungus. |
Authors of publication | Liu, Mengting; Sun, Weiguang; Shen, Ling; Hao, Xincai; Al Anbari, Weaam Hasan; Lin, Shuang; Li, Huaqiang; Gao, Weixi; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui |
Journal of publication | Journal of natural products |
Year of publication | 2019 |
Journal volume | 82 |
Journal issue | 10 |
Pages of publication | 2897 - 2906 |
a | 6.0289 ± 0.0001 Å |
b | 14.166 ± 0.0002 Å |
c | 25.7023 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2195.12 ± 0.05 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 | 0.046 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1195 |
Weighted residual factors for all reflections included in the refinement | 0.12 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.