Crystallography Open Database

Information card for entry 1504779

Preview

Coordinates	1504779.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TD2TD
Formula	C30 H44 O4 S5 Si2
Calculated formula	C30 H44 O4 S5 Si2
SMILES	s1c(cc2c1c1c(S2(=O)=O)c2c(s1)c1c(s2)C=C(S1(=O)=O)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Electronic modulation of fused oligothiophenes by chemical oxidation.
Authors of publication	Suzuki, Yoshitake; Okamoto, Toshihiro; Wakamiya, Atsushi; Yamaguchi, Shigehiro
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	16
Pages of publication	3393 - 3396
a	7.074 ± 0.002 Å
b	13.714 ± 0.004 Å
c	17.962 ± 0.005 Å
α	90°
β	100.071 ± 0.0016°
γ	90°
Cell volume	1715.7 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7107 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.	1504779.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504779.cif
42356	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504777, 1504778, 1504779 via cif-deposit CGI script.	1504779.cif