Crystallography Open Database

Information card for entry 7239808

Preview

Coordinates	7239808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H52 O7
Calculated formula	C31 H52 O7
Title of publication	Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB
Authors of publication	Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	6
Pages of publication	3343 - 3356
a	30.922 ± 0.0006 Å
b	13.9294 ± 0.0003 Å
c	14.7361 ± 0.0003 Å
α	90°
β	107.917 ± 0.001°
γ	90°
Cell volume	6039.4 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.98 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.2556
Weighted residual factors for all reflections included in the refinement	0.2669
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258054 (current)	2020-10-06	cif/ Updating files of 7239805, 7239806, 7239807, 7239808 Original log message: Adding full bibliography for 7239805--7239808.cif.	7239808.cif
247081	2020-01-22	cif/ Adding structures of 7239805, 7239806, 7239807, 7239808 via cif-deposit CGI script.	7239808.cif