Crystallography Open Database

Information card for entry 1514291

Preview

Coordinates	1514291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 F2 O2
Calculated formula	C11 H10 F2 O2
SMILES	Fc1c(/C=C/C(=O)O)ccc(c1F)CC
Title of publication	Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes
Authors of publication	Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	5
Pages of publication	1934
a	4.865 ± 0.001 Å
b	7.057 ± 0.0014 Å
c	15.151 ± 0.003 Å
α	88.73 ± 0.03°
β	84.04 ± 0.03°
γ	82.71 ± 0.03°
Cell volume	513.15 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.159
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1644
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514291.cif
109265	2014-04-10	cif/ Adding structures of 1514291 via cif-deposit CGI script.	1514291.cif