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Information card for entry 1565109
Preview
Coordinates | 1565109.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 O3 |
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Calculated formula | C15 H18 O3 |
SMILES | O1c2cc(C(=O)O)ccc2[C@@]2(C[C@@]1(C)CCC2)C.O1c2cc(C(=O)O)ccc2[C@]2(C[C@@]1(CCC2)C)C |
Title of publication | Penispidins A-C, Aromatic Sesquiterpenoids from <i>Penicillium virgatum</i> and Their Inhibitory Effects on Hepatic Lipid Accumulation. |
Authors of publication | Yin, Guo-Ping; Gong, Man; Xue, Gui-Min; Gong, Tian; Cao, Xue; Wang, Weiyi; Hu, Chang-Hua |
Journal of publication | Journal of natural products |
Year of publication | 2021 |
Journal volume | 84 |
Journal issue | 10 |
Pages of publication | 2623 - 2629 |
a | 22.9072 ± 0.0004 Å |
b | 7.95806 ± 0.00017 Å |
c | 23.4273 ± 0.0004 Å |
α | 90° |
β | 106.561 ± 0.0019° |
γ | 90° |
Cell volume | 4093.56 ± 0.14 Å3 |
Cell temperature | 291.27 ± 0.19 K |
Ambient diffraction temperature | 291.27 ± 0.19 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1383 |
Residual factor for significantly intense reflections | 0.1217 |
Weighted residual factors for significantly intense reflections | 0.4237 |
Weighted residual factors for all reflections included in the refinement | 0.4419 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.796 |
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/1565109.html
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Users of the data should acknowledge the original authors of the
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