Crystallography Open Database

Information card for entry 1552225

Preview

Coordinates	1552225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 F5 N3
Calculated formula	C25 H22 F5 N3
SMILES	Fc1c(C2=NN(c3ccc(cc3)N(CC)CC)C(c3ccccc3)C2)c(F)c(F)c(F)c1F
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	19.5027 ± 0.0009 Å
b	5.9539 ± 0.0003 Å
c	20.2366 ± 0.0009 Å
α	90°
β	111.013 ± 0.005°
γ	90°
Cell volume	2193.55 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.2284
Weighted residual factors for all reflections included in the refinement	0.2659
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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

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