Crystallography Open Database

Information card for entry 4000702

Preview

Coordinates	4000702.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	byproduct
Chemical name	byproduct
Formula	C24 H20 Cl N O2 S2
Calculated formula	C24 H20 Cl N O2 S2
SMILES	Clc1c(CC(=C2SC(C=C2)=C2SC(C=C2)=C(C#N)C(=O)CC)C(=O)CC)cccc1
Title of publication	Quinoidal Oligothiophenes with (Acyl)cyanomethylene Termini: Synthesis, Characterization, Properties, and Solution Processed n-Channel Organic Field-Effect Transistors†
Authors of publication	Suzuki, Yuki; Shimawaki, Masafumi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	3
Pages of publication	795
a	9.1985 ± 0.0011 Å
b	9.5493 ± 0.0013 Å
c	13.2712 ± 0.0016 Å
α	75.93 ± 0.003°
β	75.466 ± 0.003°
γ	82.159 ± 0.003°
Cell volume	1091 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1221
Residual factor for significantly intense reflections	0.0912
Weighted residual factors for significantly intense reflections	0.2632
Weighted residual factors for all reflections included in the refinement	0.2838
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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