Crystallography Open Database

Information card for entry 1545712

Preview

Coordinates	1545712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 B Cl3 F3 N3 O Te
Calculated formula	C18 H20 B Cl3 F3 N3 O Te
SMILES	[Te]1([n]2ccc(N(C)C)cc2)[N](=C(C)C=C1c1ccccc1)O[B](F)(F)F.ClC(Cl)Cl
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	10.2886 ± 0.0002 Å
b	15.0565 ± 0.0003 Å
c	14.7817 ± 0.0003 Å
α	90°
β	91.156 ± 0.001°
γ	90°
Cell volume	2289.37 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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