Crystallography Open Database

Information card for entry 7212925

Preview

Coordinates	7212925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N4 S2
Calculated formula	C34 H30 N4 S2
SMILES	c1(sc2c3c(C(c2c1)=C(C#N)C#N)cc1c(C(c2cc(sc12)CCCCCC)=C(C#N)C#N)c3)CCCCCC
Title of publication	A feasibly synthesized ladder-type conjugated molecule as the novel high mobility n-type organic semiconductor
Authors of publication	Tian, Hongkun; Deng, Yunfeng; Pan, Feng; Huang, Lizhen; Yan, Donghang; Geng, Yanhou; Wang, Fosong
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	37
Pages of publication	7998
a	4.7904 ± 0.0007 Å
b	9.2698 ± 0.0014 Å
c	16.959 ± 0.003 Å
α	74.549 ± 0.002°
β	89.651 ± 0.002°
γ	86.261 ± 0.002°
Cell volume	724.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180460 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/29.	7212925.cif
93676	2014-01-13	cif/ Adding structures of 7212925, 7212926 via cif-deposit CGI script.	7212925.cif