(RR,SS,RS)-Triphenyl-bis(2-cyclopentyl-2-phenylacetato-O)-antimony(v)

Sample Originator: Michael B. Hursthouse, J. F. Costello, Simon J. Coles and H. Barucki.

C₄₄H₄₅O₄Sb

InChI=1/C13H16O2.C13H15O2.3C6H5.Sb/c2*14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10;3*1-2-4-6-5-3-1;/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15);1-3,6-7,11-12H,4-5,8-9H2;3*1-5H;/q;-1;;;;+2/p-1/t2*12-;;;;/m01..../s1

Identification Number:	10.5258/ecrystals/93
Date Created:	03 May 2000
Deposited On:	21 Jan 2008 15:29
Deposited By:	A.N. Admin

Depositor Comments

The preparation of triphenylbismuth(V) 3 a-k and antimony(V) 4 e-k bis-carboxy ester complexes is described. A range of studies in solution suggest that the diastereoselective formation of (RR,SS)-3 a-j is governed by the thermodynamic stability of rapidly interconverting epimeric species. Diastereoselectivity is absent in the case of the corresponding Sb complexes, leading to the conclusion that a combination of both ligand-ligand (steric) and metal-ligand (hyperconjugative) interactions govern stereoselectivity. The formation of homochiral complexes (RR,SS)-3 a-j is rationalised using a simple model, invoking for the first time a palindromic BiPh3 propeller moiety, which correlates the chirality of the trans axial carboxy-ester ligands. The Xray crystal structures of both hetero- and homochiral diastereoisomeric antimony complexes (4 h and 4 i, respectively) are presented in support of this model.

Data collection parameters

Chemical formula	C44 H45 O4 Sb
Crystal morphology
Crystal system	Monoclinic
Space group symbol	P2(1)/c
Cell length a	9.5400(19)
Cell length b	13.248(3)
Cell length c	28.592(6)
Cell angle alpha	90.00
Cell angle beta	98.73(3)
Cell angle gamma	90.00
Data collection temperature	150(2)

Refinement results

Solution figure of merit	0.0452
R Factor (Obs)	0.0577
R Factor (All)	0.0778
Weighted R Factor (Obs)	0.1866
Weighted R Factor (All)	0.1945

Citation: Hursthouse, Michael B. and Costello, J. F. and Coles, Simon J. and Barucki, H. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/93)
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