Crystallography Open Database

Information card for entry 7215495

Preview

Coordinates	7215495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 O2 S5
Calculated formula	C30 H36 O2 S5
SMILES	s1c(c(c2S(=O)(=O)c3c(sc(c4sc(CCCCCC)cc4)c3C)c12)C)c1sc(CCCCCC)cc1
Title of publication	Influence of the oxidation level on the electronic, morphological and charge transport properties of novel dithienothiophene S-oxide and S,S-dioxide inner core oligomers
Authors of publication	Santato, Clara; Favaretto, Laura; Melucci, Manuela; Zanelli, Alberto; Gazzano, Massimo; Monari, Magda; Isik, Dilek; Banville, David; Bertolazzi, Simone; Loranger, Sébastien; Cicoira, Fabio
Journal of publication	Journal of Materials Chemistry
Year of publication	2010
Journal volume	20
Journal issue	4
Pages of publication	669
a	9.2754 ± 0.0015 Å
b	11.6067 ± 0.0019 Å
c	14.374 ± 0.002 Å
α	80.407 ± 0.002°
β	87.018 ± 0.002°
γ	88.813 ± 0.002°
Cell volume	1523.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1439
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1924
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215495.cif
112357	2014-05-01	cif/ Adding structures of 7215495 via cif-deposit CGI script.	7215495.cif