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Information card for entry 1555043
Preview
Coordinates | 1555043.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H28 O10 |
---|---|
Calculated formula | C25 H28 O10 |
SMILES | O1[C@@]2(Oc3c4c(c(O)c5C(=O)C=C(OC)[C@@]6(c35)[C@H]2CC(=O)C6)C[C@@H](O)[C@@](O)(C4)C)C[C@H](O)[C@H](O)C1 |
Title of publication | Novel anthraquinone derivatives as inhibitors of protein tyrosine phosphatases and indoleamine 2,3-dioxygenase 1 from the deep-sea derived fungus Alternaria tenuissima DFFSCS013 |
Authors of publication | Pan, Dongyan; Zhang, Xuexia; Zheng, Haizhou; Zheng, Zhihui; Nong, Xuhua; Liang, Xiao; Ma, Xuan; Qi, Shuhua |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 18 |
Pages of publication | 3252 |
a | 11.9189 ± 0.0004 Å |
b | 6.5987 ± 0.0002 Å |
c | 26.7335 ± 0.001 Å |
α | 90° |
β | 100.124 ± 0.004° |
γ | 90° |
Cell volume | 2069.83 ± 0.12 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.0344 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0909 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0239 |
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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Users of the data should acknowledge the original authors of the
structural data.