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Information card for entry 1546418
Preview
Coordinates | 1546418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 O8 |
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Calculated formula | C19 H20 O8 |
SMILES | O=C1c2c3c(C(=O)C1(O)C(C(=O)C)C)c(O)cc(OC)c3c(cc2O)C.O |
Title of publication | Anti-Cryptococcus Phenalenones and Cyclic Tetrapeptides from Auxarthron pseudauxarthron |
Authors of publication | Li, Yan; Yue, Qun; Jayanetti, Dinith R.; Swenson, Dale C.; Bartholomeusz, Geoffrey A.; An, Zhiqiang; Gloer, James B.; Bills, Gerald F. |
Journal of publication | Journal of Natural Products |
Year of publication | 2017 |
a | 10.1479 ± 0.001 Å |
b | 10.1826 ± 0.001 Å |
c | 10.2083 ± 0.001 Å |
α | 102.993 ± 0.005° |
β | 96.964 ± 0.005° |
γ | 119.796 ± 0.005° |
Cell volume | 857.44 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0788 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1504 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1546418.html
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Users of the data should acknowledge the original authors of the
structural data.