Crystallography Open Database

Information card for entry 4105131

Preview

Coordinates	4105131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 I2 O8
Calculated formula	C32.32 H30 I2 O8
Title of publication	Iridium(III) Catalyzed Diastereo- and Enantioselective C-H Bond Functionalization
Authors of publication	Hidehiro Suematsu; Tsutomu Katsuki
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	14218 - 14219
a	7.344 ± 0.006 Å
b	10.456 ± 0.008 Å
c	19.492 ± 0.015 Å
α	90°
β	90.422 ± 0.009°
γ	90°
Cell volume	1497 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1071
Residual factor for significantly intense reflections	0.1053
Weighted residual factors for significantly intense reflections	0.2618
Weighted residual factors for all reflections included in the refinement	0.263
Goodness-of-fit parameter for all reflections included in the refinement	1.244
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178797 (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 4/10/51.	4105131.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105131.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105131.cif
30323	2011-11-11	../uploads/cif-deposit/cod/cif Adding structures of 4105131 via cif-deposit CGI script.	4105131.cif