Crystallography Open Database

Information card for entry 4111987

4111986 << 4111987 >> 4111988

Preview

Coordinates	4111987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 F6 N2 O8 Rh2
Calculated formula	C12 H12 F6 N2 O8 Rh2
Title of publication	Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis
Authors of publication	Yan Lou; Travis P. Remarchuk; E. J. Corey
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14223 - 14230
a	13.847 ± 0.0016 Å
b	14.3366 ± 0.0016 Å
c	9.9933 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1983.9 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0571
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.331
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
178890 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/19.	4111987.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111987.cif
63604	2012-08-05	cif/ Adding structures of 4111987 via cif-deposit CGI script.	4111987.cif