Crystallography Open Database

Information card for entry 4107724

Preview

Coordinates	4107724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 N2 O3
Calculated formula	C20 H26 N2 O3
SMILES	O=C1[C@@]([C@@H](NC(=O)OC(C)(C)C)CCc2ccccc2)(CCC1)C#N.O=C1[C@]([C@H](NC(=O)OC(C)(C)C)CCc2ccccc2)(CCC1)C#N
Title of publication	Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate
Authors of publication	Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5630 - 5631
a	15.2764 ± 0.0003 Å
b	12.2814 ± 0.0002 Å
c	21.5584 ± 0.0004 Å
α	90°
β	109.255 ± 0.0013°
γ	90°
Cell volume	3818.44 ± 0.12 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.2175
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107724.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107724.cif
55873	2012-05-07	cif/ Adding structures of 4107724 via cif-deposit CGI script.	4107724.cif