Crystallography Open Database

Information card for entry 7233590

Preview

Coordinates	7233590.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5,5Bis(5ndodecylpyridin-2-yl)2,2-bithiophene
Formula	C42 H60 N2 S2
Calculated formula	C42 H60 N2 S2
Title of publication	5,5'-Bis-(alkylpyridinyl)-2,2'-bithiophenes: synthesis, liquid crystalline behaviour and charge transport
Authors of publication	Yulia A. Getmanenko; Shin-Woong Kang; Naresh Shakya; Chandra Pokhrel; Scott D. Bunge; Satyendra Kumar; Brett D. Ellman; Robert J. Twieg
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	256 - 271
a	5.661 ± 0.006 Å
b	11.898 ± 0.012 Å
c	28.47 ± 0.03 Å
α	98.44 ± 0.015°
β	91.421 ± 0.016°
γ	103.379 ± 0.015°
Cell volume	1842 ± 3 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 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 all reflections	0.2106
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.2262
Goodness-of-fit parameter for all reflections included in the refinement	0.848
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217880 (current)	2019-08-30	cif/ Adding structures of 7233590 via cif-deposit CGI script.	7233590.cif