Crystallography Open Database

Information card for entry 7245316

Preview

Coordinates	7245316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 S8
Calculated formula	C18 H24 S8
SMILES	S1[C@@H]([C@H](SC2=C1S/C(=C1\SC3=C(S1)S[C@H](CC)[C@H](S3)CC)S2)CC)CC
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	8.0812 ± 0.0002 Å
b	10.1708 ± 0.0002 Å
c	13.7159 ± 0.0003 Å
α	90°
β	92.804 ± 0.002°
γ	90°
Cell volume	1125.99 ± 0.04 Å³
Cell temperature	149.8 ± 0.7 K
Ambient diffraction temperature	149.8 ± 0.7 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	0.0316
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7245316.cif