Crystallography Open Database

Information card for entry 1540710

Preview

Coordinates	1540710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 O9
Calculated formula	C26 H30 O9
SMILES	O1[C@](/C=C/C=C/CC)(C(=O)C(=C1[C@@H]1[C@](O)(c2c(O)c(O)c(OC)cc2C(=O)[C@@H]1C)C)C(=O)OC)C
Title of publication	LC-MS-Guided Isolation of Penicilfuranone A: A New Antifibrotic Furancarboxylic Acid from the Plant Endophytic Fungus Penicillium sp. sh18.
Authors of publication	Wang, Wei-Guang; Li, Ao; Yan, Bing-Chao; Niu, Shu-Bin; Tang, Jian-Wei; Li, Xiao-Nian; Du, Xue; Challis, Gregory L.; Che, Yongsheng; Sun, Han-Dong; Pu, Jian-Xin
Journal of publication	Journal of natural products
Year of publication	2016
Journal volume	79
Journal issue	1
Pages of publication	149 - 155
a	8.464 ± 0.0003 Å
b	15.4214 ± 0.0005 Å
c	19.4594 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2539.97 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
175791 (current)	2016-02-04	cif/ Updating files of 1540710 Original log message: Adding full bibliography for 1540710.cif.	1540710.cif
171613	2015-12-19	cif/ Adding structures of 1540710 via cif-deposit CGI script.	1540710.cif