Crystallography Open Database

Information card for entry 7233521

Preview

Coordinates	7233521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H52 S Si2
Calculated formula	C42 H52 S Si2
SMILES	c12ccccc1c1c(cc3c(c4ccccc4c(c3c1)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)s2
Title of publication	Bitrialkylsilylethynyl thienoacenes: synthesis, molecular conformation and crystal packing, and their field-effect properties
Authors of publication	Weifeng Zhang; Ji Zhang; Xiangyang Chen; Zupan Mao; Xiaodong Xie; Liping Wang; Yi Liao; Gui Yu; Yunqi Liu; Daoben Zhu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2012
Journal volume	1
Pages of publication	6403 - 6410
a	12.241 ± 0.002 Å
b	15.168 ± 0.003 Å
c	20.461 ± 0.004 Å
α	90°
β	93.26 ± 0.003°
γ	90°
Cell volume	3792.9 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	446 ± 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	0.0896
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.1628
Goodness-of-fit parameter for all reflections included in the refinement	1.231
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
217791 (current)	2019-08-28	cif/ Adding structures of 7233521 via cif-deposit CGI script.	7233521.cif