Crystallography Open Database

Information card for entry 1545713

Preview

Coordinates	1545713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 B F3 N2 O2 Te2
Calculated formula	C20 H18 B F3 N2 O2 Te2
SMILES	[Te]1(O[N]2=C(C)C=C([Te]2)c2ccccc2)[N](=C(C=C1c1ccccc1)C)O[B](F)(F)F
Title of publication	FDHALO17: Building new discrete supramolecular assemblies through the interaction of iso-tellurazole N-oxides with Lewis acids and bases
Authors of publication	Ho, Peter Cheng-Wei; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio
Journal of publication	Faraday Discuss.
Year of publication	2017
a	7.2898 ± 0.0008 Å
b	13.3035 ± 0.0013 Å
c	11.561 ± 0.0012 Å
α	90°
β	104.61 ± 0.002°
γ	90°
Cell volume	1084.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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