Crystallography Open Database

Information card for entry 1506127

Preview

Coordinates	1506127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 N O5
Calculated formula	C19 H25 N O5
SMILES	N1(C(=O)[C@@H]([C@]2(CCC[C@]2(C1)C(=O)OCC)O)C)c1ccc(cc1)OC.N1(C(=O)[C@H]([C@@]2(CCC[C@@]2(C1)C(=O)OCC)O)C)c1ccc(cc1)OC
Title of publication	Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.
Authors of publication	Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	17
Pages of publication	3729 - 3732
a	11.8348 ± 0.0005 Å
b	6.7889 ± 0.0003 Å
c	21.2326 ± 0.0011 Å
α	90°
β	93.852 ± 0.003°
γ	90°
Cell volume	1702.09 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.0729
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for all reflections	0.1351
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	0.895
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506127.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506127.cif
48018	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506127 via cif-deposit CGI script.	1506127.cif