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Information card for entry 1555056
Preview
Coordinates | 1555056.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H22 O11 |
---|---|
Calculated formula | C21 H22 O11 |
SMILES | O1[C@]2(O)C(=O)c3c(occ3C[C@@]2(OC)Oc2c(OC)cc3C(=O)O[C@](O)(c3c12)C)C.OC.O1[C@@]2(O)C(=O)c3c(occ3C[C@]2(OC)Oc2c(OC)cc3C(=O)O[C@@](O)(c3c12)C)C.OC |
Title of publication | Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens |
Authors of publication | Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 18 |
Pages of publication | 3274 |
a | 8.33914 ± 0.00003 Å |
b | 13.29606 ± 0.00005 Å |
c | 18.06836 ± 0.00008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2003.38 ± 0.014 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0219 |
Residual factor for significantly intense reflections | 0.0218 |
Weighted residual factors for significantly intense reflections | 0.0559 |
Weighted residual factors for all reflections included in the refinement | 0.0559 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/1555056.html
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Users of the data should acknowledge the original authors of the
structural data.