Crystallography Open Database

Information card for entry 7234004

Preview

Coordinates	7234004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H14 S4
Calculated formula	C28 H14 S4
Title of publication	Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties
Authors of publication	Claude Niebel; Yeongin Kim; Christian Ruzie; Jolanta Karpinska; Basab Chattopadhyay; Guillaume Schweicher; Audrey Richard; Vincent Lemaur; Yoann Olivier; Jerome Cornil; Alan R. Kennedy; Ying Diao; Wen-Ya Lee; Stefan Mannsfeld; Zhenan Bao; Yves H. Geerts
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	674 - 685
a	6.0452 ± 0.0005 Å
b	7.701 ± 0.0007 Å
c	43.405 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2020.7 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.2156
Weighted residual factors for all reflections included in the refinement	0.2296
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218587 (current)	2019-09-20	cif/ Adding structures of 7234004 via cif-deposit CGI script.	7234004.cif