Crystallography Open Database

Information card for entry 4002205

Preview

Coordinates	4002205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 S2
Calculated formula	C23 H18 S2
SMILES	s1c2c3ccc(cc3sc2c2ccc(cc12)c1ccccc1)CCC
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	5.9541 ± 0.0001 Å
b	38.9909 ± 0.0001 Å
c	15.7295 ± 0.0007 Å
α	90°
β	90.0471 ± 0.0007°
γ	90°
Cell volume	3651.69 ± 0.17 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.2305
Weighted residual factors for all reflections included in the refinement	0.2508
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	4002205.cif
137411	2015-05-28	cif/ Adding structures of 4002205 via cif-deposit CGI script.	4002205.cif