Crystallography Open Database

Information card for entry 4105352

Preview

Coordinates	4105352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Cl16 N4 O18 Rh2
Calculated formula	C56 H40 Cl16 N4 O18 Rh2
Title of publication	Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids
Authors of publication	Vincent N. G. Lindsay; Wei Lin; André B. Charette
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16383 - 16385
a	22.3018 ± 0.0007 Å
b	22.3018 Å
c	21.439 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10663.1 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2344
Weighted residual factors for all reflections included in the refinement	0.2546
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178799 (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 4/10/53.	4105352.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105352.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105352.cif
30547	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105352 via cif-deposit CGI script.	4105352.cif