Crystallography Open Database

Information card for entry 7127413

Preview

Coordinates	7127413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 N S
Calculated formula	C10 H6 N S
Title of publication	Organic single crystals of cyano-substituted <i>p</i>-phenylene vinylene derivatives as transistors with low surface trap density.
Authors of publication	Deng, Jian; Wan, Yuejuan; Cai, Chang; Gu, Cheng; Ma, Yuguang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	89
Pages of publication	13776 - 13779
a	3.938 ± 0.004 Å
b	5.87 ± 0.005 Å
c	18.06 ± 0.02 Å
α	80.84 ± 0.04°
β	87.25 ± 0.05°
γ	86.08 ± 0.04°
Cell volume	410.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1193
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2976
Weighted residual factors for all reflections included in the refinement	0.3228
Goodness-of-fit parameter for all reflections included in the refinement	1.206
Diffraction radiation probe	x-ray
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
260654 (current)	2021-01-07	cif/ Updating files of 7127412, 7127413 Original log message: Adding full bibliography for 7127412--7127413.cif.	7127413.cif
258405	2020-10-15	cif/ Adding structures of 7127412, 7127413 via cif-deposit CGI script.	7127413.cif