Crystallography Open Database

Information card for entry 7120163

7120162 << 7120163 >> 7120164

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Coordinates	7120163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.66667 H21.33333 B F10 N O Te
Calculated formula	C36.6667 H21.3333 B F10 N O Te
SMILES	[B]12(Oc3c(C[NH2]1)cccc3)C(=C([Te]C(=C2c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.C1CCCC1
Title of publication	Facile Access to Unsymmetrically Substituted Tellurium-Boron based Heterocycles
Authors of publication	Tsao, Fu An; Stephan, Douglas W.
Journal of publication	Chem. Commun.
Year of publication	2017
a	31.652 ± 0.005 Å
b	13.842 ± 0.003 Å
c	23.093 ± 0.004 Å
α	90°
β	108.953 ± 0.006°
γ	90°
Cell volume	9569 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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