Crystallography Open Database

Information card for entry 1506323

Preview

Coordinates	1506323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H78 Cl4 Cu2 N18 O21
Calculated formula	C56 H78 Cl4 Cu2 N18 O21
Title of publication	Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.
Authors of publication	Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	26
Pages of publication	6099 - 6102
a	12.0986 ± 0.0018 Å
b	12.7138 ± 0.0018 Å
c	13.3209 ± 0.0017 Å
α	77.309 ± 0.016°
β	81.44 ± 0.016°
γ	74.732 ± 0.017°
Cell volume	1919.4 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2104
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506323.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506323.cif
48191	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506323 via cif-deposit CGI script.	1506323.cif