Crystallography Open Database

Information card for entry 1504366

Preview

Coordinates	1504366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 F6 N2 O
Calculated formula	C16 H8 F6 N2 O
SMILES	o1c(nnc1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Title of publication	Syntheses, Solid State Structures, and Electrical Properties of Oxadiazole-Based Oligomers with Perfluorinated Endgroups
Authors of publication	Landis, Chad A.; Dhar, Bal Mukund; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.
Journal of publication	Journal of Physical Chemistry C
Year of publication	2008
Journal volume	112
Journal issue	21
Pages of publication	7939
a	15.064 ± 0.003 Å
b	5.9041 ± 0.0005 Å
c	32.08 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2853.2 ± 0.9 Å³
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1504366.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504366.cif
41990	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504366 via cif-deposit CGI script.	1504366.cif