Crystallography Open Database

Information card for entry 1559204

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Structure parameters

Formula	C14 H11 N O6
Calculated formula	C14 H11 N O6
SMILES	O1c2cccc(O)c2C(=O)C2[C@@]3(O)[C@H](O)[C@H](NC3=O)CC1=2
Title of publication	Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4
Authors of publication	Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua
Journal of publication	Journal of Natural Products
Year of publication	2020
a	6.3952 ± 0.0003 Å
b	9.0538 ± 0.0004 Å
c	10.7157 ± 0.0005 Å
α	90°
β	100.069 ± 0.003°
γ	90°
Cell volume	610.89 ± 0.05 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1559204.cif
256775	2020-09-26	cif/ Adding structures of 1559204 via cif-deposit CGI script.	1559204.cif