Crystallography Open Database

Information card for entry 7234779

Preview

Coordinates	7234779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 O4 S4
Calculated formula	C28 H36 O4 S4
Title of publication	Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives
Authors of publication	Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	4863 - 4879
a	49.296 ± 0.002 Å
b	5.4166 ± 0.0003 Å
c	10.2355 ± 0.0006 Å
α	90°
β	96.31 ± 0.005°
γ	90°
Cell volume	2716.5 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220094 (current)	2019-10-28	cif/ Adding structures of 7234776, 7234777, 7234778, 7234779 via cif-deposit CGI script.	7234779.cif