Crystallography Open Database

Information card for entry 7235751

Preview

Coordinates	7235751.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5,10-di(butyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene
Formula	C22 H20 O2 S4
Calculated formula	C22 H20 O2 S4
Title of publication	Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells
Authors of publication	Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao
Journal of publication	J. Mater. Chem. A
Year of publication	2014
Journal volume	2
Journal issue	37
Pages of publication	15316
a	8.451 ± 0.006 Å
b	9.412 ± 0.007 Å
c	13.827 ± 0.01 Å
α	90°
β	106.097 ± 0.006°
γ	90°
Cell volume	1056.7 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0613
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
233295 (current)	2019-11-23	cif/ Adding structures of 7235751, 7235752, 7235753, 7235754 via cif-deposit CGI script.	7235751.cif