Crystallography Open Database

Information card for entry 7105858

Preview

Coordinates	7105858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H22 S4
Calculated formula	C34 H22 S4
SMILES	c12sc(cc2)C(=c2ccc(=CC=c3ccc(=C(c4ccc(C=C1)s4)c1ccccc1)s3)s2)c1ccccc1
Title of publication	New Sulphur Bridged Neutral Annulenes. Structure, Physical Properties and Applications in Organic Field-Effect Transistors
Authors of publication	Kamaljit Singh; Amit Sharma; Jing Zhang; Wei Xu; Daoben Zhu
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	905
a	10.8683 ± 0.0003 Å
b	20.9734 ± 0.0005 Å
c	5.9459 ± 0.0002 Å
α	90°
β	98.702 ± 0.003°
γ	90°
Cell volume	1339.74 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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