Crystallography Open Database

Information card for entry 4023887

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Coordinates	4023887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 O4 S6
Calculated formula	C32 H44 O4 S6
SMILES	C1(=O)SCCSCCSC(=O)C23CC4CC(C(=O)SCCSCCSC(=O)C56CC71CC(CC(C7)C6)C5)(CC(C2)C4)C3
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	10.8823 ± 0.0004 Å
b	6.713 ± 0.0003 Å
c	22.1603 ± 0.0008 Å
α	90°
β	91.307 ± 0.003°
γ	90°
Cell volume	1618.45 ± 0.11 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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

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