Crystallography Open Database

Information card for entry 4507441

Preview

Coordinates	4507441.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3,10-DPhDNTT
Chemical name	3,10-DPhDNTT
Formula	C34 H20 S2
Calculated formula	C34 H20 S2
SMILES	c12c(c3c(c4c(s3)cc3c(c4)cc(cc3)c3ccccc3)s1)Cc1cc(ccc1C2)c1ccccc1
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	6.9888 ± 0.0003 Å
b	46.665 ± 0.009 Å
c	7.18 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2341.6 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1608
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.338
Diffraction radiation wavelength	1 Å
Diffraction radiation type	synchrotron
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.	4507441.cif
85509	2013-05-07	cif/ Adding structures of 4507440, 4507441 via cif-deposit CGI script.	4507441.cif