Crystallography Open Database

Information card for entry 1546418

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Structure parameters

Formula	C19 H20 O8
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 F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546418.cif
198206	2017-06-29	cif/ Adding structures of 1546418 via cif-deposit CGI script.	1546418.cif