Crystallography Open Database

Information card for entry 7245323

Preview

Coordinates	7245323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 S8
Calculated formula	C18 H24 S8
SMILES	S1C2=C(S[C@H]([C@@H]1CC)CC)SC(=C\1SC3=C(S1)S[C@@H](CC)[C@@H](S3)CC)\S2
Title of publication	Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes
Authors of publication	Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis
Journal of publication	CrystEngComm
Year of publication	2022
a	8.2148 ± 0.0004 Å
b	10.2029 ± 0.0004 Å
c	13.8985 ± 0.0008 Å
α	90°
β	93.622 ± 0.005°
γ	90°
Cell volume	1162.57 ± 0.1 Å³
Cell temperature	293 ± 0.1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277262 (current)	2022-08-17	cif/ Adding structures of 7245316, 7245317, 7245318, 7245319, 7245320, 7245321, 7245322, 7245323, 7245324, 7245325 via cif-deposit CGI script.	7245323.cif