Crystallography Open Database

Information card for entry 1506511

Preview

Coordinates	1506511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cl2 Cu N2 O4
Calculated formula	C28 H36 Cl2 Cu N2 O4
SMILES	[Cu]1(Cl)(Cl)[n]2c3[C@H]4OC(O[C@H]4Cc3c(C)cc2c2[n]1c1c(c(c2)C)C[C@@H]2OC(O[C@H]12)(CC)CC)(CC)CC
Title of publication	Enantioselective Friedel-Crafts alkylation reactions catalyzed by a chiral nonracemic C2-symmetric 2,2'-bipyridyl copper(II) complex.
Authors of publication	Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	5
Pages of publication	901 - 904
a	8.7438 ± 0.0006 Å
b	7.6589 ± 0.0003 Å
c	21.3498 ± 0.0009 Å
α	90°
β	90.022 ± 0.003°
γ	90°
Cell volume	1429.75 ± 0.13 Å³
Cell temperature	293 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for all reflections	0.148
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	1.1741
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	1506511.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506511.cif
50376	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506511 via cif-deposit CGI script.	1506511.cif