Crystallography Open Database

Information card for entry 7108680

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Coordinates	7108680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 Cl2 S4
Calculated formula	C34 H20 Cl2 S4
SMILES	c1cc2C(c3cc(ccc3)Cl)=c3sc(cc3)=CC=c3sc(cc3)=C(c3cc(ccc3)Cl)c3sc(cc3)C=Cc1s2
Title of publication	Neutral tetrathia[22]annulene[2.1.2.1] based field-effect transistors: improved on/off ratio defies ring puckering
Authors of publication	Kamaljit Singh; Tarunpreet Singh Virk; Jing Zhang; Wei Xu; Daoben Zhu
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	12174
a	60.299 ± 0.006 Å
b	19.5214 ± 0.0015 Å
c	9.5973 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	11297.2 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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