Crystallography Open Database

Information card for entry 7156691

Preview

Coordinates	7156691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N2 O6 S
Calculated formula	C20 H22 N2 O6 S
Title of publication	Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding.
Authors of publication	Gandi, Vasudeva Rao; Doan, Bao Nguyen Do; Kasinathan, Sivarajan; Bates, Roderick W.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	10
Pages of publication	2753 - 2758
a	7.613 ± 0.003 Å
b	15.188 ± 0.005 Å
c	17.464 ± 0.006 Å
α	77.323 ± 0.005°
β	84.333 ± 0.004°
γ	89.849 ± 0.005°
Cell volume	1960.1 ± 1.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.119
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2547
Weighted residual factors for all reflections included in the refinement	0.2687
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
225044 (current)	2019-11-08	cif/ Updating files of 7156691, 7156692 Original log message: Adding full bibliography for 7156691--7156692.cif.	7156691.cif
213658	2019-02-15	cif/ Adding structures of 7156691, 7156692 via cif-deposit CGI script.	7156691.cif