Crystallography Open Database

Information card for entry 7054078

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Coordinates	7054078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 O16 S4
Calculated formula	C60 H72 O16 S4
Title of publication	Synthesis of an upper- and lower-rim functionalized calix[4]arene for detecting calcium ions using a microcantilever sensor
Authors of publication	Georghiou, Paris E.; Rahman, Shofiur; Valluru, Gopikishore; Dawe, Louise N.; Rahman, S. M. Saydur; Alodhayb, Abdullah N.; Beaulieu, L. Y.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	5
Pages of publication	1298
a	22.889 ± 0.007 Å
b	13.486 ± 0.004 Å
c	21.398 ± 0.006 Å
α	90°
β	113.624 ± 0.004°
γ	90°
Cell volume	6052 ± 3 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1061
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.2554
Weighted residual factors for all reflections included in the refinement	0.266
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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