Crystallography Open Database

Information card for entry 4001025

Preview

Coordinates	4001025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H14 S2
Calculated formula	C26.01 H14.01 S1.861
SMILES	c1ccc2c(c1)c(C#Cc1cccs1)c1c(c2C#Cc2cccs2)cccc1
Title of publication	Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors
Authors of publication	Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	13
Pages of publication	2840
a	16.508 ± 0.003 Å
b	10.367 ± 0.002 Å
c	21.587 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3694.4 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0918
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	0.81
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001025.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001025.cif
38911	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001025 via cif-deposit CGI script.	4001025.cif