Crystallography Open Database

Information card for entry 1553616

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Structure parameters

Formula	C22 H24 S4 Si2
Calculated formula	C22 H24 S4 Si2
SMILES	s1cc2c3c(c4c(scc4c4c(csc4)c2c1[Si](C)(C)C)[Si](C)(C)C)csc3
Title of publication	Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi
Authors of publication	Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua
Journal of publication	Organic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	6
Pages of publication	1019
a	10.5479 ± 0.0013 Å
b	16.6 ± 0.002 Å
c	13.9079 ± 0.0017 Å
α	90°
β	92.242 ± 0.002°
γ	90°
Cell volume	2433.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0597
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1553616.cif
235211	2019-11-23	cif/ Adding structures of 1553616, 1553617 via cif-deposit CGI script.	1553616.cif