Crystallography Open Database

Information card for entry 7120159

7120158 << 7120159 >> 7120160

Preview

Structure parameters

Formula	C27 H16 B F5 O S Te
Calculated formula	C27 H16 B F5 O S Te
SMILES	[Te]1C(c2ccccc2)=C(B(OCc2ccccc2)C=C1c1cscc1)c1c(F)c(F)c(F)c(F)c1F
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	7.7832 ± 0.0012 Å
b	11.102 ± 0.0018 Å
c	14.344 ± 0.002 Å
α	95.903 ± 0.005°
β	97.575 ± 0.005°
γ	92.147 ± 0.006°
Cell volume	1220.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7120159.html