Crystallography Open Database

Information card for entry 1504535

Preview

Coordinates	1504535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H6 F2 O2 S3
Calculated formula	C15 H6 F2 O2 S3
SMILES	s1c(c2sccc2)c2c(c1c1sccc1)C(=O)C(F)(F)C2=O
Title of publication	Electronegative oligothiophenes based on difluorodioxocyclopentene-annelated thiophenes: synthesis, properties, and n-type FET performances.
Authors of publication	Ie, Yutaka; Umemoto, Yoshikazu; Okabe, Makoto; Kusunoki, Takahiro; Nakayama, Ken-ichi; Pu, Yong-Jin; Kido, Junji; Tada, Hirokazu; Aso, Yoshio
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	5
Pages of publication	833 - 836
a	15.6617 ± 0.0005 Å
b	14.8817 ± 0.0005 Å
c	17.7747 ± 0.0006 Å
α	90°
β	91.2299 ± 0.001°
γ	90°
Cell volume	4141.8 ± 0.2 Å³
Cell temperature	200.1 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 significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	2.523
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504535.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504535.cif
42149	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504535 via cif-deposit CGI script.	1504535.cif