Crystallography Open Database

Information card for entry 4121386

Preview

Coordinates	4121386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20
Calculated formula	C30 H20
Title of publication	Terazulene: A High-Performance n-Type Organic Field-Effect Transistor Based on Molecular Orbital Distribution Control
Authors of publication	Yuji Yamaguchi; Keisuke Ogawa; Ken-ichi Nakayama; Yoshihiro Ohba; Hiroshi Katagiri
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	19095 - 19098
a	7.71 ± 0.003 Å
b	5.872 ± 0.003 Å
c	20.638 ± 0.01 Å
α	90°
β	98.296 ± 0.007°
γ	90°
Cell volume	924.6 ± 0.7 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0946
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179015 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/13.	4121386.cif
107593	2014-03-20	cif/ Adding structures of 4121386 via cif-deposit CGI script.	4121386.cif