Crystallography Open Database

Information card for entry 7226227

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Structure parameters

Formula	C17 H16 O8
Calculated formula	C17 H16 O8
SMILES	O=C1O[C@@H]2[C@@]3([C@@](CC(=O)c4cc(O)ccc4O)(C(=O)OC3)CC2)[C@@H]1O
Title of publication	Isolation of lingzhifuran A and lingzhilactones D-F from Ganoderma lucidum as specific Smad3 phosphorylation inhibitors and total synthesis of lingzhifuran A
Authors of publication	Ding, Wei-yi; Ai, Jun; Wang, Xinlong; Qiu, Fayang; Lu, Qing; Fang, Ping; Hou, Fan-Fan; yan, yong ming; Cheng, Yongxian
Journal of publication	RSC Adv.
Year of publication	2016
a	6.7105 ± 0.0003 Å
b	7.803 ± 0.0004 Å
c	15.2397 ± 0.0009 Å
α	90°
β	102.694 ± 0.002°
γ	90°
Cell volume	778.48 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.108
Residual factor for significantly intense reflections	0.1075
Weighted residual factors for significantly intense reflections	0.289
Weighted residual factors for all reflections included in the refinement	0.2892
Goodness-of-fit parameter for all reflections included in the refinement	1.212
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226227.cif
185768	2016-08-12	cif/ Adding structures of 7226227 via cif-deposit CGI script.	7226227.cif