Crystallography Open Database

Information card for entry 7234272

Preview

Coordinates	7234272.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexyl-substituted anthra[1,2-b:4,3-b?:5,6-b??:8,7-b???]tetrathiophene
Formula	C46 H58 S4
Calculated formula	C46 H58 S4
Title of publication	Evaluation of semiconducting molecular thin films solution-processed via the photoprecursor approach: the case of hexyl-substituted thienoanthracenes
Authors of publication	Cassandre Quinton; Mitsuharu Suzuki; Yoshitaka Kaneshige; Yuki Tatenaka; Chiho Katagiri; Yuji Yamaguchi; Daiki Kuzuhara; Naoki Aratani; Ken-ichi Nakayama; Hiroko Yamada
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	5995 - 6005
a	12.604 ± 0.002 Å
b	4.8761 ± 0.0009 Å
c	32.657 ± 0.006 Å
α	90°
β	100.676 ± 0.004°
γ	90°
Cell volume	1972.3 ± 0.6 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	3
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	0.1216
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
218962 (current)	2019-10-01	cif/ Adding structures of 7234272, 7234273, 7234274 via cif-deposit CGI script.	7234272.cif