Crystallography Open Database

Information card for entry 7234090

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Coordinates	7234090.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DHTA-F2 from solution (200 K)
Formula	C40 H50 F2 N4 Si2
Calculated formula	C40 H50 F2 N4 Si2
SMILES	[Si](C#Cc1c2Nc3nc4cc(F)c(F)cc4nc3Nc2c(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	16.4266 ± 0.0017 Å
b	39.893 ± 0.004 Å
c	36.045 ± 0.004 Å
α	90°
β	99.223 ± 0.003°
γ	90°
Cell volume	23315 ± 4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1768
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.178
Weighted residual factors for all reflections included in the refinement	0.2357
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
218747 (current)	2019-09-23	cif/ Adding structures of 7234090 via cif-deposit CGI script.	7234090.cif