Crystallography Open Database

Information card for entry 4069160

Preview

Coordinates	4069160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H43 N2 O2 P2 Rh
Calculated formula	C45 H43 N2 O2 P2 Rh
SMILES	[Rh]12(OC(=CC(=[O]2)C)C)[P]2([C@@H](CC[C@H]2c2ccccc2)c2ccccc2)c2nc3ccccc3nc2[P]21[C@@H](CC[C@H]2c1ccccc1)c1ccccc1
Title of publication	Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation
Authors of publication	Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	10
Pages of publication	2993
a	13.6719 ± 0.0011 Å
b	15.5546 ± 0.0013 Å
c	17.9798 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3823.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.217
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
178580 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/91.	4069160.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069160.cif
40157	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069160, 4069161, 4069162, 4069163 via cif-deposit CGI script.	4069160.cif