Crystallography Open Database

Information card for entry 1507636

Preview

Coordinates	1507636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 S2
Calculated formula	C28 H18 S2
SMILES	s1c(c2cc3cccccc3c2)ccc1c1sc(c2cc3c(c2)ccccc3)cc1
Title of publication	Synthesis, Properties, and OFET Characteristics of 5,5'-Di(2-azulenyl)-2,2'-bithiophene (DAzBT) and 2,5-Di(2-azulenyl)-thieno[3,2-b]thiophene (DAzTT).
Authors of publication	Yamaguchi, Yuji; Maruya, Yukihiro; Katagiri, Hiroshi; Nakayama, Ken-Ichi; Ohba, Yoshihiro
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	2316 - 2319
a	6.055 ± 0.006 Å
b	7.542 ± 0.008 Å
c	21.6 ± 0.02 Å
α	90°
β	95.65 ± 0.02°
γ	90°
Cell volume	981.6 ± 1.7 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.2043
Weighted residual factors for all reflections included in the refinement	0.2321
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1507636.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507636.cif
57593	2012-05-18	cif/ Adding structures of 1507636 via cif-deposit CGI script.	1507636.cif