Crystallography Open Database

Information card for entry 7060608

Preview

Coordinates	7060608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H11 F15 O S2
Calculated formula	C26 H11 F15 O S2
SMILES	s1c(ccc1c1sc(cc1)c1cc2ccccc2cc1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Title of publication	Effect of electron-withdrawing groups on molecular properties of naphthyl and anthryl bithiophenes as potential n-type semiconductors
Authors of publication	Feriancová, Lucia; Cigáň, Marek; Gmucová, Katarína; Kožíšek, Jozef; Nádaždy, Vojtech; Putala, Martin
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	22
Pages of publication	9794 - 9804
a	29.2832 ± 0.0008 Å
b	5.9351 ± 0.0001 Å
c	14.672 ± 0.0003 Å
α	90°
β	97.692 ± 0.002°
γ	90°
Cell volume	2527.03 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1333
Residual factor for significantly intense reflections	0.1209
Weighted residual factors for significantly intense reflections	0.2959
Weighted residual factors for all reflections included in the refinement	0.3036
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267215 (current)	2021-07-05	cif/ Updating files of 7060607, 7060608 Original log message: Adding full bibliography for 7060607--7060608.cif.	7060608.cif
264384	2021-04-22	cif/ Adding structures of 7060607, 7060608 via cif-deposit CGI script.	7060608.cif