Crystallography Open Database

Information card for entry 7127412

Preview

Coordinates	7127412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 N2 S2
Calculated formula	C28 H16 N2 S2
SMILES	s1c(/C=C(c2ccccc2)\C#N)cc2c1cc1sc(/C=C(\C#N)c3ccccc3)cc1c2
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	3.9035 ± 0.0004 Å
b	44.025 ± 0.006 Å
c	6.0394 ± 0.0006 Å
α	90°
β	95.692 ± 0.008°
γ	90°
Cell volume	1032.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1452
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.2266
Weighted residual factors for all reflections included in the refinement	0.256
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7127412.cif
258405	2020-10-15	cif/ Adding structures of 7127412, 7127413 via cif-deposit CGI script.	7127412.cif