(S,S)-(+)-1,2-Bis[(o-methoxyphenyl)(phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

Catalog Number	ACM71423546-1
CAS	71423-54-6
Structure
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;(S)-(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane;rhodium;tetrafluoroborate
Molecular Weight	756.38
Molecular Formula	C36H40BF4O2P2Rh
Canonical SMILES	[B-](F)(F)(F)F.COC1=CC=CC=C1P(CCP(C2=CC=CC=C2)C3=CC=CC=C3OC)C4=CC=CC=C4.C1CC=CCCC=C1.[Rh]
InChI	InChI=1S/C28H28O2P2.C8H12.BF4.Rh/c1-29-25-17-9-11-19-27(25)31(23-13-5-3-6-14-23)21-22-32(24-15-7-4-8-16-24)28-20-12-10-18-26(28)30-2;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-20H,21-22H2,1-2H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-;/t31-,32-;/m0/s1
InChI Key	DCGUTTVLWMBBAX-MPKHXIGSSA-N
Purity	95%+
Appearance	Orange powder
Complexity	563
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	2
Exact Mass	756.15877
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	[B-](F)(F)(F)F.COC1=CC=CC=C1[P@](C2=CC=CC=C2)CC[P@](C3=CC=CC=C3OC)C4=CC=CC=C4.C1/C=C\CC/C=C\C1.[Rh]
Monoisotopic Mass	756.15877
Rotatable Bond Count	9
Topological Polar Surface Area	18.5 Ų