Crystallography Open Database

Information card for entry 4518686

Preview

Coordinates	4518686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H20 Au F5 N4 S
Calculated formula	C35 H20 Au F5 N4 S
SMILES	[Au]([n]1ccc(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)cc1)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Making Aggregation-Induced Emission Luminogen More Valuable by Gold: Enhancing Anticancer Efficacy by Suppressing Thioredoxin Reductase Activity
Authors of publication	Zou, Hang; Zhang, Jing; Wu, Changmeng; He, Benzhao; Hu, Yubing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Zheng, Lei; Tang, Ben Zhong
Journal of publication	ACS Nano
Year of publication	2021
a	8.7359 ± 0.0004 Å
b	13.6139 ± 0.0008 Å
c	13.9957 ± 0.0008 Å
α	111.821 ± 0.005°
β	100.122 ± 0.004°
γ	103.297 ± 0.005°
Cell volume	1439.58 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264805 (current)	2021-05-04	cif/ Adding structures of 4518686 via cif-deposit CGI script.	4518686.cif