Crystallography Open Database

Information card for entry 4025263

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Structure parameters

Common name	dimer of 2
Formula	C24 H6 Br4 F10 S2
Calculated formula	C24 H6 Br4 F10 S2
SMILES	Brc1sc(Br)cc1C1C(c2c(F)c(F)c(F)c(F)c2F)C(C1c1c(F)c(F)c(F)c(F)c1F)c1c(Br)sc(Br)c1
Title of publication	Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers
Authors of publication	Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	1561 - 1568
a	13.8315 ± 0.001 Å
b	11.1491 ± 0.0008 Å
c	17.5648 ± 0.0012 Å
α	90°
β	109.276 ± 0.001°
γ	90°
Cell volume	2556.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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