Crystallography Open Database

Information card for entry 7233520

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Structure parameters

Formula	C30 H28 S Si2
Calculated formula	C30 H28 S Si2
SMILES	s1c2ccccc2c2cc3c(c4ccccc4c(c3cc12)C#C[Si](C)(C)C)C#C[Si](C)(C)C
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	7.2587 ± 0.0015 Å
b	13.877 ± 0.003 Å
c	13.896 ± 0.003 Å
α	75.68 ± 0.03°
β	87.39 ± 0.03°
γ	78.99 ± 0.03°
Cell volume	1331.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1529
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7233520.cif
217790	2019-08-28	cif/ Adding structures of 7233520 via cif-deposit CGI script.	7233520.cif