Crystallography Open Database

Information card for entry 1552854

Preview

Coordinates	1552854.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(1,1,2,2,8,8,8,8,8-Nonafluoro-8λ8-octa-3,5,7-triyn-1-yl)naphthalene
Formula	C18 H7 F9
Calculated formula	C18 H7 F9
SMILES	FC(F)(c1c2ccccc2ccc1)C(F)(F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Controllable double CF2-insertion into sp2 C‒Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures
Authors of publication	Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	1
Pages of publication	276 - 280
a	7.427 ± 0.002 Å
b	7.782 ± 0.003 Å
c	13.74 ± 0.005 Å
α	89.382 ± 0.01°
β	89.146 ± 0.01°
γ	68.679 ± 0.01°
Cell volume	739.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2657
Weighted residual factors for all reflections included in the refinement	0.3183
Goodness-of-fit parameter for all reflections included in the refinement	1.231
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257300 (current)	2020-10-06	cif/ Updating files of 1552854 Original log message: Adding full bibliography for 1552854.cif.	1552854.cif
247633	2020-02-04	cif/ Updating files of 1552854 Original log message: Adding full bibliography for 1552854.cif.	1552854.cif
227513	2019-11-12	cif/ Adding structures of 1552854 via cif-deposit CGI script.	1552854.cif