Crystallography Open Database

Information card for entry 4002203

Preview

Coordinates	4002203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 S2
Calculated formula	C24 H20 S2
SMILES	s1c2c3ccc(cc3sc2c2ccc(cc12)c1ccccc1)CCCC
Title of publication	Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals
Authors of publication	Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	11
Pages of publication	3809
a	8.357 ± 0.002 Å
b	5.95 ± 0.001 Å
c	19.356 ± 0.003 Å
α	90°
β	97.453 ± 0.005°
γ	90°
Cell volume	954.3 ± 0.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140080 (current)	2015-07-05	cif/ Updating files of 4002203, 4002204, 4002205, 4002206, 4002207 Original log message: Adding full bibliography for 4002203--4002207.cif.	4002203.cif
137409	2015-05-28	cif/ Adding structures of 4002203 via cif-deposit CGI script.	4002203.cif