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Information card for entry 1540426
Preview
Coordinates | 1540426.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 O15 |
---|---|
Calculated formula | C32 H32 O15 |
SMILES | O[C@@H]1[C@H](CC(=C2C(=O)c3c(O)ccc(c3O[C@@]12C(=O)OC)c1c(O)c2C(=O)C[C@](Oc2cc1)([C@@H]1OC(=O)C[C@@H]1C)C(=O)OC)O)C.O |
Title of publication | Versixanthones A-F, Cytotoxic Xanthone-Chromanone Dimers from the Marine-Derived Fungus Aspergillus versicolor HDN1009. |
Authors of publication | Wu, Guangwei; Yu, Guihong; Kurtán, Tibor; Mándi, Attila; Peng, Jixing; Mo, Xiaomei; Liu, Ming; Li, Hui; Sun, Xinhua; Li, Jing; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai |
Journal of publication | Journal of natural products |
Year of publication | 2015 |
Journal volume | 78 |
Journal issue | 11 |
Pages of publication | 2691 - 2698 |
a | 7.0833 ± 0.0001 Å |
b | 13.9608 ± 0.0001 Å |
c | 31.0735 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3072.81 ± 0.06 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 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 | 0.0389 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1048 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/1540426.html
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Users of the data should acknowledge the original authors of the
structural data.