Crystallography Open Database

Information card for entry 4000969

Preview

Coordinates	4000969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 F4 N2 O4
Calculated formula	C30 H18 F4 N2 O4
SMILES	Fc1cc(CCN2C(=O)c3ccc4c5c3c(C2=O)ccc5C(=O)N(C4=O)CCc2cc(F)cc(c2)F)cc(c1)F
Title of publication	Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors
Authors of publication	Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	1
Pages of publication	94
a	6.622 ± 0.0001 Å
b	22.2242 ± 0.0004 Å
c	7.8567 ± 0.0002 Å
α	90°
β	92.006 ± 0.002°
γ	90°
Cell volume	1155.55 ± 0.04 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000969.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000969.cif
38851	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4000969 via cif-deposit CGI script.	4000969.cif