Crystallography Open Database

Information card for entry 1503941

Preview

Coordinates	1503941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H42 Cl4 F24 O4 P4 Rh2
Calculated formula	C77 H42 Cl4 F24 O4 P4 Rh2
Title of publication	Electron-poor chiral diphosphine ligands: high performance for Rh-catalyzed asymmetric 1,4-addition of arylboronic acids at room temperature.
Authors of publication	Korenaga, Toshinobu; Osaki, Kazutaka; Maenishi, Ryota; Sakai, Takashi
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	11
Pages of publication	2325 - 2328
a	14.085 ± 0.002 Å
b	14.146 ± 0.002 Å
c	19.443 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3873.9 ± 1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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.	1503941.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503941.cif
39200	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503941 via cif-deposit CGI script.	1503941.cif