Crystallography Open Database

Information card for entry 4003399

Preview

Coordinates	4003399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N3 O2 S4
Calculated formula	C23 N3 O2 S4
SMILES	s1c(nc2c1c1sc(nc1C(=O)N(CCCCCCC)C2=O)c1sccc1)c1sccc1
Title of publication	Imide-Functionalized Thiazole-Based Polymer Semiconductors: Synthesis, Structure‒Property Correlations, Charge Carrier Polarity, and Thin-Film Transistor Performance
Authors of publication	Shi, Yongqiang; Guo, Han; Qin, Minchao; Wang, Yuxi; Zhao, Jiuyang; Sun, Huiliang; Wang, Hang; Wang, Yulun; Zhou, Xin; Facchetti, Antonio; Lu, Xinhui; Zhou, Ming; Guo, Xugang
Journal of publication	Chemistry of Materials
Year of publication	2018
Journal volume	30
Journal issue	21
Pages of publication	7988
a	46.45 ± 0.006 Å
b	46.45 ± 0.006 Å
c	7.164 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	13386 ± 4 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.1121
Weighted residual factors for significantly intense reflections	0.297
Weighted residual factors for all reflections included in the refinement	0.3136
Goodness-of-fit parameter for all reflections included in the refinement	1.655
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
256620 (current)	2020-09-22	cif/4 Fixing some Z values and formulae	4003399.cif
231573	2019-11-22	cif/ Adding structures of 4003399 via cif-deposit CGI script.	4003399.cif