Crystallography Open Database

Information card for entry 7230471

Preview

Coordinates	7230471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O5 S
Calculated formula	C23 H18 N2 O5 S
Title of publication	Transition metal free oxygenation of 8-aminoquinoline amides in water
Authors of publication	Yao, Xinghui; Weng, Xin; Wang, Kaixuan; Xiang, Haifeng; Zhou, Xiangge
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	11
Pages of publication	2472
a	9.1495 ± 0.0007 Å
b	11.0385 ± 0.0008 Å
c	11.775 ± 0.001 Å
α	68.418 ± 0.007°
β	81.041 ± 0.007°
γ	68.191 ± 0.007°
Cell volume	1026.46 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
230122 (current)	2019-11-17	cif/ Updating files of 7230471 Original log message: Adding full bibliography for 7230471.cif.	7230471.cif
207334	2018-04-14	cif/ Adding structures of 7230471 via cif-deposit CGI script.	7230471.cif