Crystallography Open Database

Information card for entry 4001062

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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
301811 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure.	4001062.cif
176467	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