Crystallography Open Database

Information card for entry 1516419

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Structure parameters

Formula	C24 H12 F6 O2 S2
Calculated formula	C24 H12 F6 O2 S2
SMILES	O=C(C(F)(F)F)c1ccc(cc1)c1ccc(s1)c1ccc(s1)c1ccc(cc1)C(=O)C(F)(F)F
Title of publication	Comprehensive Evaluation of Electron Mobility for a Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer
Authors of publication	Ie, Yutaka; Nitani, Masashi; Uemura, Takafumi; Tominari, Yukihiro; Takeya, Jun; Honsho, Yoshihito; Saeki, Akinori; Seki, Shu; Aso, Yoshio
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2009
Journal volume	113
Journal issue	39
Pages of publication	17189
a	6.844 ± 0.006 Å
b	22.211 ± 0.019 Å
c	13.877 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2109 ± 3 Å³
Cell temperature	293.1 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.31
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1516419.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1516419.cif
114850	2014-05-29	cif/ Adding structures of 1516419 via cif-deposit CGI script.	1516419.cif