Crystallography Open Database

Information card for entry 7243619

Preview

Coordinates	7243619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N
Calculated formula	C23 H21 N
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	11.0913 ± 0.0014 Å
b	16.1163 ± 0.0018 Å
c	9.1839 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1641.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	7243619.cif
269334	2021-09-28	cif/ Adding structures of 7243618, 7243619, 7243620, 7243621 via cif-deposit CGI script.	7243619.cif