Crystallography Open Database

Information card for entry 7229502

Preview

Structure parameters

Formula	C16 H28 O5
Calculated formula	C16 H28 O5
SMILES	O1[C@H]([C@H]2O[C@@]31[C@@H](CC2)[C@@H](O)CC[C@H]3O)CCCC[C@@H](O)C
Title of publication	Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi
Authors of publication	Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui
Journal of publication	RSC Advances
Year of publication	2017
Journal volume	7
Journal issue	81
Pages of publication	51335
a	5.4895 ± 0.0004 Å
b	13.2356 ± 0.0012 Å
c	11.0897 ± 0.001 Å
α	90°
β	91.805 ± 0.002°
γ	90°
Cell volume	805.34 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.052
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	7229502.cif
202599	2017-11-04	cif/ Adding structures of 7229500, 7229501, 7229502, 7229503 via cif-deposit CGI script.	7229502.cif