Crystallography Open Database

Information card for entry 1549805

Preview

Coordinates	1549805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 F2 Sn
Calculated formula	C32 H40 F2 Sn
SMILES	c1(ccccc1/C(=C/c1ccc(cc1)F)c1ccc(cc1)F)[Sn](CCCC)(CCCC)CCCC
Title of publication	Addition of arylstannanes to alkynes giving <i>ortho</i>-alkenylarylstannanes catalysed cooperatively by a rhodium complex and zinc chloride.
Authors of publication	Ming, Jialin; Shi, Qi; Hayashi, Tamio
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	39
Pages of publication	7700 - 7704
a	17.1715 ± 0.0013 Å
b	17.8894 ± 0.0014 Å
c	9.4518 ± 0.0007 Å
α	90°
β	101.309 ± 0.003°
γ	90°
Cell volume	2847.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1468
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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