Crystallography Open Database

Information card for entry 7239805

Preview

Coordinates	7239805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 O6
Calculated formula	C30 H46 O6
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	14.2747 ± 0.0019 Å
b	6.4197 ± 0.0009 Å
c	14.897 ± 0.002 Å
α	90°
β	105.303 ± 0.009°
γ	90°
Cell volume	1316.7 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0866
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1718
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7239805.cif
247081	2020-01-22	cif/ Adding structures of 7239805, 7239806, 7239807, 7239808 via cif-deposit CGI script.	7239805.cif