Crystallography Open Database

Information card for entry 7234089

Preview

Coordinates	7234089.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DHTA-H2 from film
Formula	C40 H52 N4 Si2
Calculated formula	C40 H52 N4 Si2
SMILES	[Si](C#Cc1c2Nc3nc4ccccc4nc3Nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(C(C)C)(C(C)C)C(C)C
Title of publication	N,N'-Dihydrotetraazapentacenes (DHTA) in thin film transistors
Authors of publication	Fabian Paulus; Benjamin D. Lindner; Hilmar Reiss; Frank Rominger; Andreas Leineweber; Yana Vaynzof; Henning Sirringhaus; Uwe H. F. Bunz
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	1604 - 1609
a	7.7626 ± 0.0009 Å
b	29.864 ± 0.004 Å
c	34.922 ± 0.005 Å
α	90°
β	95.412 ± 0.003°
γ	90°
Cell volume	8059.6 ± 1.8 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2405
Residual factor for significantly intense reflections	0.1533
Weighted residual factors for significantly intense reflections	0.3734
Weighted residual factors for all reflections included in the refinement	0.405
Goodness-of-fit parameter for all reflections included in the refinement	2.057
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
218746 (current)	2019-09-23	cif/ Adding structures of 7234089 via cif-deposit CGI script.	7234089.cif