(+)-1,2-Bis((2S,5S)-2,5-diethylphospholano)benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

Catalog Number	ACM213343647-1
CAS	213343-64-7
Structure
Synonyms	(S,S)-Et-DUPHOS-Rh
Molecular Weight	660.37
Molecular Formula	C30H48BF4P2Rh
Canonical SMILES	[B-](F)(F)(F)F.CCC1CCC(P1C2=CC=CC=C2P3C(CCC3CC)CC)CC.C1CC=CCCC=C1.[Rh]
InChI	InChI=1S/C22H36P2.C8H12.BF4.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-;/t17-,18-,19-,20-;/m0/s1
InChI Key	XIOPHSBHVOCZMM-ZCTOJWETSA-N
Purity	98%+
Appearance	Red orange crystal
Complexity	414
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	4
Exact Mass	660.23154
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isomeric SMILES	[B-](F)(F)(F)F.CC[C@@H]1P([C@H](CC1)CC)C2=CC=CC=C2P3[C@H](CC[C@@H]3CC)CC.C1/C=C\CC/C=C\C1.[Rh]
Monoisotopic Mass	660.23154
Rotatable Bond Count	6
Topological Polar Surface Area	0 Ų