Crystallography Open Database

Information card for entry 7243618

Preview

Coordinates	7243618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 F2 N
Calculated formula	C19 H11 F2 N
SMILES	Fc1cc2c3nc4c(cc3Cc2cc1)Cc1ccc(F)cc41
Title of publication	Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations
Authors of publication	Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	20
Pages of publication	7950 - 7955
a	3.8635 ± 0.0001 Å
b	26.708 ± 0.001 Å
c	12.5375 ± 0.0003 Å
α	90°
β	90.609 ± 0.003°
γ	90°
Cell volume	1293.63 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
270461 (current)	2021-11-06	cif/ Updating files of 7243618, 7243619, 7243620, 7243621 Original log message: Adding full bibliography for 7243618--7243621.cif.	7243618.cif
269334	2021-09-28	cif/ Adding structures of 7243618, 7243619, 7243620, 7243621 via cif-deposit CGI script.	7243618.cif