Crystallography Open Database

Information card for entry 7235154

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Coordinates	7235154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 S4
Calculated formula	C14 H8 S4
Title of publication	The effect of hexyl side chains on molecular conformations, crystal packing, and charge transport of oligothiophenes
Authors of publication	Benjamin P. Cherniawski; Steven A. Lopez; Edmund K. Burnett; Ilhan Yavuz; Lei Zhang; Sean R. Parkin; Kendall N. Houk; Alejandro L. Briseno
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Pages of publication	582 - 588
a	5.7171 ± 0.0003 Å
b	8.601 ± 0.0006 Å
c	13.2287 ± 0.0008 Å
α	87.647 ± 0.005°
β	77.952 ± 0.004°
γ	82.023 ± 0.004°
Cell volume	629.96 ± 0.07 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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