Crystallography Open Database

Information card for entry 4065584

Preview

Coordinates	4065584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 F5 N2 O Sn
Calculated formula	C36 H43 F5 N2 O Sn
SMILES	[Sn]1(OCc2c(F)c(F)c(F)c(F)c2F)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Reaction of Tin(II) Hydride with Compounds Containing Aromatic C−F Bonds†
Authors of publication	Jana, Anukul; Roesky, Herbert W.; Schulzke, Carola; Samuel, Prinson P.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	4837
a	12.074 ± 0.002 Å
b	12.398 ± 0.003 Å
c	12.821 ± 0.003 Å
α	82.25 ± 0.03°
β	72.91 ± 0.03°
γ	71.68 ± 0.03°
Cell volume	1739.6 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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/4065584.html