Crystallography Open Database

Information card for entry 7233588

Preview

Coordinates	7233588.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5,5Bis(5nonylpyridin-2-yl)2,2-bithiophene
Formula	C34 H44 N2 S2
Calculated formula	C34 H44 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	5.6 ± 0.0011 Å
b	11.4 ± 0.002 Å
c	11.92 ± 0.002 Å
α	75.6 ± 0.03°
β	87.4 ± 0.03°
γ	76.2 ± 0.03°
Cell volume	715.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0897
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1417
Weighted residual factors for all reflections included in the refinement	0.1644
Goodness-of-fit parameter for all reflections included in the refinement	0.863
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
217878 (current)	2019-08-30	cif/ Adding structures of 7233588 via cif-deposit CGI script.	7233588.cif