Crystallography Open Database

Information card for entry 4102613

Preview

Coordinates	4102613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 N O4 S
Calculated formula	C19 H25 N O4 S
Title of publication	Structural Characterization of N-Protonated Amides: Regioselective N-Activation of Medium-Bridged Twisted Lactams
Authors of publication	Michal Szostak; Lei Yao; Victor W. Day; Douglas R. Powell; Jeffrey Aubé
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	8836 - 8837
a	13.551 ± 0.005 Å
b	11.403 ± 0.004 Å
c	11.442 ± 0.004 Å
α	90°
β	96.214 ± 0.007°
γ	90°
Cell volume	1757.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178772 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/26.	4102613.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102613.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102613.cif
25512	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102613 via cif-deposit CGI script.	4102613.cif