Crystallography Open Database

Information card for entry 4111616

Preview

Coordinates	4111616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H114 N8 O15 P2
Calculated formula	C78 H72 N8 O8 P2
Title of publication	Highly Active, Regioselective, and Enantioselective Hydroformylation with Rh Catalysts Ligated by Bis-3,4-diazaphospholanes
Authors of publication	Thomas P. Clark; Clark R. Landis; Susan L. Freed; Jerzy Klosin; Khalil A. Abboud
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	5040 - 5042
a	18.4724 ± 0.0012 Å
b	18.4724 ± 0.0012 Å
c	21.479 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	6347.3 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.1472
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	0.871
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
178887 (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 4/11/16.	4111616.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111616.cif
63217	2012-07-19	cif/ Adding structures of 4111616 via cif-deposit CGI script.	4111616.cif