Crystallography Open Database

Information card for entry 1504536

Preview

Coordinates	1504536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H2 F6 O6 S3
Calculated formula	C21 H2 F6 O6 S3
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	29.607 ± 0.002 Å
b	13.304 ± 0.001 Å
c	17.539 ± 0.0012 Å
α	90°
β	113.503 ± 0.003°
γ	90°
Cell volume	6335.3 ± 0.8 Å³
Cell temperature	296.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.1713
Goodness-of-fit parameter for all reflections included in the refinement	3.953
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
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.	1504536.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504536.cif
42150	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504536 via cif-deposit CGI script.	1504536.cif