Crystallography Open Database

Information card for entry 7112628

Preview

Coordinates	7112628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 O
Calculated formula	C40 H52 O
SMILES	c1c2ccc(cc2cc2c1oc1c2cc2cc(CCCCCCCCCC)ccc2c1)CCCCCCCCCC
Title of publication	Furan fused V-shaped organic semiconducting materials with high emission and high mobility
Authors of publication	Katsumasa Nakahara; Chikahiko Mitsui; Toshihiro Okamoto; Masakazu Yamagishi; Hiroyuki Matsui; Takanari Ueno; Yuji Tanaka; Masafumi Yano; Takeshi Matsushita; Junshi Soeda; Yuri Hirose; Hiroyasu Sato; Akihito Yamanof; Jun Takeya
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5342
a	6.0634 ± 0.0007 Å
b	72.208 ± 0.008 Å
c	7.6952 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3369.2 ± 0.7 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.3247
Goodness-of-fit parameter for all reflections included in the refinement	0.887
Diffraction radiation wavelength	1.0106 Å
Diffraction radiation type	SrKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180240 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/26.	7112628.cif
111519	2014-04-24	cif/ Adding structures of 7112628, 7112629 via cif-deposit CGI script.	7112628.cif