Crystallography Open Database

Information card for entry 4510295

Preview

Coordinates	4510295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 S2 Si2
Calculated formula	C26 H30 S2 Si2
SMILES	s1c(ccc1c1sc(cc1)c1ccc([Si](C)(C)C)cc1)c1ccc(cc1)[Si](C)(C)C
Title of publication	Molecularly Smooth Single-Crystalline Films of Thiophene‒Phenylene Co-Oligomers Grown at the Gas‒Liquid Interface
Authors of publication	Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1726
a	12.246 ± 0.002 Å
b	12.25 ± 0.003 Å
c	34.687 ± 0.007 Å
α	90°
β	90.55 ± 0.03°
γ	90°
Cell volume	5203.3 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.1839
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.69411 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179649 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510295.cif
109025	2014-04-07	cif/ Adding structures of 4510295 via cif-deposit CGI script.	4510295.cif