Crystallography Open Database

Information card for entry 4107492

Preview

Coordinates	4107492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H62 F3 O11 P2 Rh S3
Calculated formula	C47 H62 F3 O11 P2 Rh S3
Title of publication	Diastereo- and Enantioselective Hydrogenative Aldol Coupling of Vinyl Ketones: Design of Effective Monodentate TADDOL-Like Phosphonite Ligands
Authors of publication	Cisco Bee; Soo Bong Han; Abbas Hassan; Hiroki Iida; Michael J. Krische
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2746 - 2747
a	10.553 ± 0.0006 Å
b	10.553 ± 0.0006 Å
c	50.011 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5569.5 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1445
Residual factor for significantly intense reflections	0.1078
Weighted residual factors for significantly intense reflections	0.2592
Weighted residual factors for all reflections included in the refinement	0.274
Goodness-of-fit parameter for all reflections included in the refinement	1.268
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
178820 (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 4/10/74.	4107492.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107492.cif
55176	2012-05-03	cif/ Adding structures of 4107492 via cif-deposit CGI script.	4107492.cif