Crystallography Open Database

Information card for entry 4028774

Preview

Coordinates	4028774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 N2 O4 S2
Calculated formula	C19 H26 N2 O4 S2
Title of publication	Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines
Authors of publication	Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	11756 - 11764
a	10.666 ± 0.01 Å
b	10.666 ± 0.01 Å
c	18.087 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	2058 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
178466 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/87.	4028774.cif
95547	2014-01-28	cif/ Adding structures of 4028774 via cif-deposit CGI script.	4028774.cif