Crystallography Open Database

Information card for entry 1557799

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Structure parameters

Formula	C15 H16 O7
Calculated formula	C15 H16 O7
SMILES	c1(cccc2c1C(=O)[C@]1([C@H]([C@@H]3[C@@]([C@@H]([C@]1(C)O2)O)(C)O3)O)O)O
Title of publication	Bioactive Polyhydroxanthones from Penicillium purpurogenum
Authors of publication	Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi
Journal of publication	Journal of Natural Products
Year of publication	2020
a	8.07861 ± 0.00016 Å
b	10.5922 ± 0.0002 Å
c	8.39036 ± 0.00016 Å
α	90°
β	97.3584 ± 0.0019°
γ	90°
Cell volume	712.05 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	1557799.cif
250805	2020-04-16	cif/ Adding structures of 1557799 via cif-deposit CGI script.	1557799.cif