Crystallography Open Database

Information card for entry 1502168

Preview

Coordinates	1502168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 N2 S2 Si2
Calculated formula	C34 H46 N2 S2 Si2
SMILES	c12c(c3cc4c(cc3c(c1N=S=N2)C#C[Si](C(C)C)(C(C)C)C(C)C)scc4)C#C[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing.
Authors of publication	Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	2642 - 2645
a	12.112 ± 0.002 Å
b	18.039 ± 0.004 Å
c	16.191 ± 0.003 Å
α	90°
β	94.77 ± 0.03°
γ	90°
Cell volume	3525.3 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.0922
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502168.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502168.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502168.cif
35485	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502168, 1502169, 1502170 via cif-deposit CGI script.	1502168.cif