Crystallography Open Database

Information card for entry 1531043

Preview

Coordinates	1531043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 O7
Calculated formula	C19 H16 O7
SMILES	o1c2c(Oc3cc(O)c(cc3)CCC(=O)OC)c(O)ccc2ccc1=O
Title of publication	α-Glucosidase Inhibition and Antihyperglycemic Activity of Phenolics from the Flowers of Edgeworthia gardneri.
Authors of publication	Ma, Yan-Yan; Zhao, Deng-Gao; Zhou, Ai-Yu; Zhang, Yu; Du, Zhiyun; Zhang, Kun
Journal of publication	Journal of agricultural and food chemistry
Year of publication	2015
Journal volume	63
Journal issue	37
Pages of publication	8162 - 8169
a	14.7352 ± 0.0017 Å
b	8.7127 ± 0.0009 Å
c	14.2158 ± 0.0012 Å
α	90°
β	114.431 ± 0.012°
γ	90°
Cell volume	1661.7 ± 0.3 Å³
Cell temperature	293.18 ± 0.1 K
Ambient diffraction temperature	293.18 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1415
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
160540 (current)	2015-10-06	cif/ Updating files of 1531043 Original log message: Adding full bibliography for 1531043.cif.	1531043.cif
156337	2015-09-16	cif/ Adding structures of 1531043 via cif-deposit CGI script.	1531043.cif