Crystallography Open Database

Information card for entry 7062857

Preview

Coordinates	7062857.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole
Chemical name	2,2'-(3,3''-dihexyl-[2,2':5',2''-terthiophene]-5,5''-diyl)bis(1-octyl-1H-phenanthro[9,10-d]imidazole
Formula	C70 H78 N4 S3
Calculated formula	C70 H78 N4 S3
Title of publication	Enhancing thermoelectric performance of single-walled carbon nanotube/reduced graphene oxide composites with small organic molecules as a novel additive
Authors of publication	Jang, Jae Gyu; Kim, Tae-hoon; Kim, Sung Hyun; Hong, Jong-In
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	47
Pages of publication	21692 - 21699
a	25.5231 ± 0.0013 Å
b	18.844 ± 0.0005 Å
c	12.4455 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5985.8 ± 0.4 Å³
Cell temperature	292.9 ± 0.8 K
Ambient diffraction temperature	292.9 ± 0.8 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288851 (current)	2024-01-06	cif/ Updating files of 7062857 Original log message: Adding full bibliography for 7062857.cif.	7062857.cif
287271	2023-11-05	cif/ Adding structures of 7062857 via cif-deposit CGI script.	7062857.cif