Crystallography Open Database

Information card for entry 4023888

Preview

Coordinates	4023888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 O2 S4
Calculated formula	C18 H26 O2 S4
SMILES	S1CCSCCSC(=O)C23CC4(CC(CC(C2)C4)C3)C(=O)SCC1
Title of publication	Thiamacrocyclic Lactones: New Ag(I)-Ionophores
Authors of publication	Ines Vujasinović; Jelena Veljković; Krešimir Molčanov; Biserka Kojić-Prodić; Kata Mlinarić-Majerski
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	9221 - 9227
a	10.6965 ± 0.0006 Å
b	11.757 ± 0.0011 Å
c	16.1963 ± 0.0011 Å
α	94.942 ± 0.006°
β	94.876 ± 0.005°
γ	108.935 ± 0.006°
Cell volume	1905.6 ± 0.2 Å³
Cell temperature	293 ± 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 significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4023888.html