Crystallography Open Database

Information card for entry 1504005

Preview

Coordinates	1504005.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	T-FT
Chemical name	2-(thiophen-2-yl)thieno[3,2-b]furan
Formula	C10 H6 O S2
Calculated formula	C10 H6 O S2
SMILES	s1ccc2oc(cc12)c1sccc1
Title of publication	Facile and scalable synthesis of the fused-ring heterocycles thieno[3,2-b]thiophene and thieno[3,2-b]furan.
Authors of publication	Henssler, John T.; Matzger, Adam J.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	14
Pages of publication	3144 - 3147
a	9.43737 ± 0.0001 Å
b	16.8839 ± 0.0003 Å
c	5.68402 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	905.69 ± 0.02 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	1504005.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504005.cif
39261	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504005 via cif-deposit CGI script.	1504005.cif