Crystallography Open Database

Information card for entry 1506281

Preview

Coordinates	1506281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H6 F6 S3
Calculated formula	C15.83 H6 F6 S2.69
SMILES	s1c(c2c(c1c1sccc1)C(F)(F)C(F)(F)C2(F)F)c1sccc1
Title of publication	Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.
Authors of publication	Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	23
Pages of publication	5381 - 5384
a	15.461 ± 0.001 Å
b	5.7223 ± 0.0003 Å
c	17.076 ± 0.001 Å
α	90°
β	96.684 ± 0.002°
γ	90°
Cell volume	1500.49 ± 0.15 Å³
Cell temperature	193.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.7107 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.	1506281.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506281.cif
48149	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506281 via cif-deposit CGI script.	1506281.cif