Crystallography Open Database

Information card for entry 4033327

Preview

Coordinates	4033327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 N2 O6 S
Calculated formula	C18 H20 N2 O6 S
Title of publication	Bifunctional Thiourea-Ammonium Salt Catalysts Derived from Cinchona Alkaloids: Cooperative Phase-Transfer Catalysts in the Enantioselective Aza-Henry Reaction of Ketimines.
Authors of publication	Lu, Ning; Fang, Yanhong; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	3
Pages of publication	1486 - 1492
a	9.815 ± 0.002 Å
b	10.37 ± 0.002 Å
c	19.071 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1941.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227613 (current)	2019-11-12	cif/ Updating files of 4033327 Original log message: Adding full bibliography for 4033327.cif.	4033327.cif
204907	2018-01-07	cif/ Adding structures of 4033327 via cif-deposit CGI script.	4033327.cif