Crystallography Open Database

Information card for entry 1518196

Preview

Coordinates	1518196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 F2 N O5
Calculated formula	C15 H17 F2 N O5
SMILES	FC(F)(c1cc(OC)c(OC)cc1C=O)C(=O)N1CCOCC1
Title of publication	Visible-light-driven difluoroacetamidation of unactive arenes and heteroarenes by direct C-H functionalization at room temperature.
Authors of publication	Wang, Lin; Wei, Xiao-Jing; Jia, Wen-Liang; Zhong, Jian-Ji; Wu, Li-Zhu; Liu, Qiang
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	22
Pages of publication	5842 - 5845
a	10.3815 ± 0.0004 Å
b	8.8496 ± 0.0003 Å
c	16.7103 ± 0.0006 Å
α	90°
β	99.942 ± 0.004°
γ	90°
Cell volume	1512.16 ± 0.1 Å³
Cell temperature	292.82 ± 0.1 K
Ambient diffraction temperature	292.82 ± 0.1 K
Number of distinct elements	5
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	0.0513
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1518196.cif
131505	2015-02-08	cif/ Updating files of 1518196 Original log message: Adding full bibliography for 1518196.cif.	1518196.cif
126277	2014-11-05	cif/ Adding structures of 1518196 via cif-deposit CGI script.	1518196.cif