Crystallography Open Database

Information card for entry 1529712

Preview

Coordinates	1529712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 O5
Calculated formula	C12 H14 O5
SMILES	Oc1cc(O)cc(c1)C1=C(C[C@H](O)C1=O)C.O
Title of publication	Polyketides with α-Glucosidase Inhibitory Activity from a Mangrove Endophytic Fungus, Penicillium sp. HN29-3B1.
Authors of publication	Liu, Yayue; Yang, Qin; Xia, Guoping; Huang, Hongbo; Li, Hanxiang; Ma, Lin; Lu, Yongjun; He, Lei; Xia, Xuekui; She, Zhigang
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	8
Pages of publication	1816 - 1822
a	7.8143 ± 0.0004 Å
b	7.9133 ± 0.0003 Å
c	18.3147 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1132.52 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0474
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
154293 (current)	2015-09-05	cif/ Adding structures of 1529712 via cif-deposit CGI script.	1529712.cif