Crystallography Open Database

Information card for entry 1513512

Preview

Coordinates	1513512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H8 F6 N2
Calculated formula	C18 H8 F6 N2
Title of publication	AgF-mediated fluorinative homocoupling of gem-difluoroalkenes.
Authors of publication	Gao, Bing; Zhao, Yanchuan; Ni, Chuanfa; Hu, Jinbo
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	1
Pages of publication	102 - 105
a	15.205 ± 0.012 Å
b	9.06 ± 0.008 Å
c	12.052 ± 0.01 Å
α	90°
β	95.074 ± 0.018°
γ	90°
Cell volume	1654 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1109
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.253
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
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.	1513512.cif
104664	2014-03-11	cif/ Adding structures of 1513512 via cif-deposit CGI script.	1513512.cif