Crystallography Open Database

Information card for entry 1552226

Preview

Coordinates	1552226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 F5 N2
Calculated formula	C22 H15 F5 N2
SMILES	Fc1c(c(F)c(F)c(F)c1F)C1=NN(c2ccc(cc2)C)C(c2ccccc2)C1
Title of publication	Multifunctional pyrazoline based AIEgens: real-time tracking and specific protein “fishing” of lipid droplets
Authors of publication	Zhao, Na; Li, Yan; Yang, Weiyao; Zhuang, Jiabao; Li, Yue; Li, Nan
Journal of publication	Chemical Science
Year of publication	2019
a	11.1225 ± 0.0004 Å
b	12.8307 ± 0.0005 Å
c	13.8928 ± 0.0005 Å
α	100.865 ± 0.003°
β	91.711 ± 0.003°
γ	103.357 ± 0.003°
Cell volume	1888.83 ± 0.13 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1672
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
275434 (current)	2022-05-16	cif/1 Fixing some Z values and formulae	1552226.cif
217532	2019-08-15	cif/ Adding structures of 1552224, 1552225, 1552226 via cif-deposit CGI script.	1552226.cif