Crystallography Open Database

Information card for entry 4510952

Preview

Coordinates	4510952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H12 F6 N2 O2 S4
Calculated formula	C30 H12 F6 N2 O2 S4
SMILES	c1c(c2ncc(s2)c2sc3c(c2)C(=O)c2sc(c4cnc(c5ccc(C(F)(F)F)cc5)s4)cc2C3=O)ccc(C(F)(F)F)c1
Title of publication	Novel semiconducting quinone for air-stable n-type organic field-effect transistors.
Authors of publication	Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro
Journal of publication	ACS applied materials & interfaces
Year of publication	2010
Journal volume	2
Journal issue	5
Pages of publication	1303 - 1307
a	6.4637 ± 0.0013 Å
b	7.656 ± 0.0015 Å
c	14.491 ± 0.003 Å
α	77.613 ± 0.004°
β	81.666 ± 0.005°
γ	67.213 ± 0.005°
Cell volume	644.2 ± 0.2 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.254
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510952.cif
114443	2014-05-24	cif/ Adding structures of 4510952, 4510953 via cif-deposit CGI script.	4510952.cif