Crystallography Open Database

Information card for entry 7203477

7203476 << 7203477 >> 7203478

Preview

Coordinates	7203477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 O6
Calculated formula	C36 H30 O6
SMILES	c1(C#Cc2cc(c(c(c2)OC)OC)OC)c2ccccc2c(C#Cc2cc(c(c(c2)OC)OC)OC)c2ccccc12
Title of publication	Highly soluble acenes as semiconductors for thin film transistors
Authors of publication	Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	37
Pages of publication	3708
a	5.0294 ± 0.0011 Å
b	7.4771 ± 0.0017 Å
c	19.701 ± 0.004 Å
α	97.683 ± 0.004°
β	92.558 ± 0.004°
γ	109.44 ± 0.004°
Cell volume	689.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
180365 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/34.	7203477.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203477.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203477.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203477.cif