Crystallography Open Database

Information card for entry 7157313

Preview

Coordinates	7157313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H4 F8 N2 O
Calculated formula	C12 H4 F8 N2 O
Title of publication	Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.
Authors of publication	Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	6
Pages of publication	1185 - 1193
a	14.0204 ± 0.001 Å
b	7.9073 ± 0.0005 Å
c	22.6326 ± 0.0016 Å
α	90°
β	103.22 ± 0.007°
γ	90°
Cell volume	2442.6 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
249039 (current)	2020-03-05	cif/ Updating files of 7157313, 7157314 Original log message: Adding full bibliography for 7157313--7157314.cif.	7157313.cif
246944	2020-01-17	cif/ Adding structures of 7157313, 7157314 via cif-deposit CGI script.	7157313.cif