Crystallography Open Database

Information card for entry 7120984

7120983 << 7120984 >> 7120985

Preview

Coordinates	7120984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 B F13 O4 S Te
Calculated formula	C38 H30 B F13 O4 S Te
SMILES	[Te]1C(=C(c2c(F)c(F)c(F)c(F)c2F)[B](OS(=O)(=O)C(F)(F)F)([O]2CCCC2)C(=C1c1ccccc1)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CCCCC
Title of publication	Synthesis and reactions of 4H-1,4-telluraborine.
Authors of publication	Tsao, Fu An; Stephan, Douglas W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	54
Journal issue	2
Pages of publication	208 - 211
a	12.199 ± 0.0017 Å
b	13.1459 ± 0.0016 Å
c	13.2577 ± 0.0018 Å
α	70.801 ± 0.006°
β	79.133 ± 0.006°
γ	76.956 ± 0.006°
Cell volume	1940.9 ± 0.5 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	0.0378
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228240 (current)	2019-11-17	cif/ Updating files of 7120984, 7120985 Original log message: Adding full bibliography for 7120984--7120985.cif.	7120984.cif
206489	2018-02-18	cif/7 Fixing some Z values and formulae	7120984.cif
204200	2017-12-13	cif/ Adding structures of 7120984, 7120985 via cif-deposit CGI script.	7120984.cif