Crystallography Open Database

Information card for entry 4507440

Preview

Coordinates	4507440.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	29DPhDNTT
Chemical name	29DPhDNTT
Formula	C34 H20 S2
Calculated formula	C34 H20 S2
SMILES	c12cc3cc(c4ccccc4)ccc3cc2c2c(s1)c1c(cc3cc(ccc3c1)c1ccccc1)s2
Title of publication	Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.
Authors of publication	Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko
Journal of publication	ACS applied materials & interfaces
Year of publication	2013
Journal volume	5
Journal issue	7
Pages of publication	2331 - 2336
a	24.32 ± 0.007 Å
b	7.613 ± 0.002 Å
c	6.1826 ± 0.0018 Å
α	90°
β	94.301 ± 0.004°
γ	90°
Cell volume	1141.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0642
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.25
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
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507440.cif
85509	2013-05-07	cif/ Adding structures of 4507440, 4507441 via cif-deposit CGI script.	4507440.cif