Crystallography Open Database

Information card for entry 1552224

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Structure parameters

Formula	C22 H15 F5 N2 O
Calculated formula	C22 H15 F5 N2 O
SMILES	Fc1c(C2=NN(c3ccc(OC)cc3)C(c3ccccc3)C2)c(F)c(c(c1F)F)F
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	14.0842 ± 0.0005 Å
b	6.3205 ± 0.0002 Å
c	42.4385 ± 0.0015 Å
α	90°
β	92.56 ± 0.003°
γ	90°
Cell volume	3774.1 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1552224.cif
275434	2022-05-16	cif/1 Fixing some Z values and formulae	1552224.cif
217532	2019-08-15	cif/ Adding structures of 1552224, 1552225, 1552226 via cif-deposit CGI script.	1552224.cif