Crystallography Open Database

Information card for entry 4330725

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Structure parameters

Formula	C26 H21 F3 O3 S2 Te
Calculated formula	C26 H21 F3 O3 S2 Te
SMILES	[Te+](c1ccc2c3c(ccc(Sc4ccccc4)c13)CC2)(c1ccccc1)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Noncovalent Interactions in Peri-Substituted Chalconium Acenaphthene and Naphthalene Salts: A Combined Experimental, Crystallographic, Computational, and Solid-State NMR Study
Authors of publication	Fergus R. Knight; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Lucy Wakefield; John M. Griffin; Sharon E. Ashbrook; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11087 - 11097
a	10.117 ± 0.01 Å
b	11.322 ± 0.013 Å
c	12.21 ± 0.011 Å
α	76.31 ± 0.03°
β	67.36 ± 0.03°
γ	84.7 ± 0.04°
Cell volume	1254 ± 2 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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