Crystallography Open Database

Information card for entry 4001062

Preview

Coordinates	4001062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 F4 O2
Calculated formula	C34 H20 F4 O2
SMILES	Fc1ccc(cc1)C1=CC(=C2C=C(OC(=C2)c2ccc(cc2)F)c2ccc(cc2)F)C=C(O1)c1ccc(cc1)F
Title of publication	Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues
Authors of publication	Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	19
Pages of publication	4350
a	6.081 ± 0.0007 Å
b	9.2666 ± 0.0011 Å
c	11.819 ± 0.0014 Å
α	114.383 ± 0.003°
β	92.559 ± 0.003°
γ	91.396 ± 0.003°
Cell volume	605.32 ± 0.12 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001062.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001062.cif
38952	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001061, 4001062 via cif-deposit CGI script.	4001062.cif