Crystallography Open Database

Information card for entry 7054486

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Structure parameters

Formula	C19 H11 F4 N O2
Calculated formula	C19 H11 F4 N O2
SMILES	Fc1c(/C=C/c2nc3c(cc2)cccc3OC(=O)C)cc(F)c(F)c1F
Title of publication	Comparative studies on OLED performances of chloro and fluoro substituted Zn(ii) 8-hydroxyquinolinates
Authors of publication	Huo, Yanping; Lu, Jiguo; Lu, Tianhua; Fang, Xiaoming; Ouyang, Xinhua; Zhang, Li; Yuan, Guozan
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	1
Pages of publication	333
a	8.3016 ± 0.0003 Å
b	12.104 ± 0.0004 Å
c	16.4292 ± 0.0005 Å
α	90°
β	98.436 ± 0.003°
γ	90°
Cell volume	1632.99 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0817
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.2105
Weighted residual factors for all reflections included in the refinement	0.2274
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7054486.cif
180098	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/44.	7054486.cif
131125	2015-02-04	cif/ Updating files of 7054486 Original log message: Adding full bibliography for 7054486.cif.	7054486.cif
125314	2014-10-14	cif/ Adding structures of 7054486 via cif-deposit CGI script.	7054486.cif