Crystallography Open Database

Information card for entry 4023889

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Coordinates	4023889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 O4 S10
Calculated formula	C40 H59.392 O4 S10
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	10.387 ± 0.0003 Å
b	10.9656 ± 0.0004 Å
c	21.2348 ± 0.0005 Å
α	97.441 ± 0.002°
β	95.973 ± 0.002°
γ	111.024 ± 0.003°
Cell volume	2208.81 ± 0.12 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	0.0404
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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