Crystallography Open Database

Information card for entry 7039531

Preview

Coordinates	7039531.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1-diphenylphosphino-8-triphenylstibonium-naphthalene-triflate
Chemical name	1-diphenylphosphino-8-triphenylstibonium-naphthalene-triflate
Formula	C41 H31 F3 O3 P S Sb
Calculated formula	C41 H31 F3 O3 P S Sb
SMILES	[Sb]1([P+](c2c3c(cccc13)ccc2)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F
Title of publication	Antimony(v) cations for the selective catalytic transformation of aldehydes into symmetric ethers, α,β-unsaturated aldehydes, and 1,3,5-trioxanes.
Authors of publication	Arias Ugarte, Renzo; Devarajan, Deepa; Mushinski, Ryan M.; Hudnall, Todd W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	11150 - 11161
a	9.8944 ± 0.0012 Å
b	21.026 ± 0.003 Å
c	17.789 ± 0.002 Å
α	90°
β	96.496 ± 0.007°
γ	90°
Cell volume	3677.1 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185394 (current)	2016-08-07	cif/ Updating files of 7039531 Original log message: Adding full bibliography for 7039531.cif.	7039531.cif
183512	2016-06-16	cif/ Adding structures of 7039531 via cif-deposit CGI script.	7039531.cif