Crystallography Open Database

Information card for entry 4119931

4119930 << 4119931 >> 4119932

Preview

Coordinates	4119931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 F3 Fe
Calculated formula	C19 H13 F3 Fe
Title of publication	Copper-Promoted Sandmeyer Trifluoromethylation Reaction
Authors of publication	Jian-Jun Dai; Chi Fang; Bin Xiao; Jun Yi; Jun Xu; Zhao-Jing Liu; Xi Lu; Lei Liu; Yao Fu
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8436 - 8439
a	7.7098 ± 0.0004 Å
b	8.8646 ± 0.0006 Å
c	11.5586 ± 0.0005 Å
α	90°
β	97.321 ± 0.004°
γ	90°
Cell volume	783.52 ± 0.08 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178970 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/99.	4119931.cif
104579	2014-03-11	cif/ Adding structures of 4119931 via cif-deposit CGI script.	4119931.cif