Crystallography Open Database

Information card for entry 1507637

Preview

Coordinates	1507637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 S2
Calculated formula	C26 H16 S2
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	5.866 ± 0.005 Å
b	7.86 ± 0.006 Å
c	20.022 ± 0.015 Å
α	81.85 ± 0.02°
β	82.43 ± 0.018°
γ	87.35 ± 0.02°
Cell volume	905.5 ± 1.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1133
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71075 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.	1507637.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507637.cif
57594	2012-05-18	cif/ Adding structures of 1507637 via cif-deposit CGI script.	1507637.cif