Crotocaudin; a rearranged labdane type norditerpene from Croton caudatus geisel

The structure and stereochemistry of crotocaudin, a new norditerpene occurring as a minor constituent in Crotoncaudatus Geisel (Euphorbiaceae) have been established as ent-8S,10S-15,16-epoxy-19-norcleroda-4,11,13(16), 14-tetraene 18,6S: 20,12-diolactone 7 from the detailed studies of ¹H NMR spectra using lanthanide shift reagents, decoupling experiments and chemical reactions. The congener, teucvidin, ent-10S-15,16-epoxy-19-norcleroda-4,13(16), 14-triene-18,6S: 20,12R-diolactone 1 was obtained as a major component besides several triterpenoids viz taraxerone 2, taraxerol 3 and taraxeryl acetate 4. ¹³C NMR and ¹H NMR spectra and a few novel reactions of teucvidin and its conversion to teucvin, ent-(6R,12R)-15,16-epoxy-19-nor-9,4-friedolabda-4,13(16),14-triene-18,6:20, 12-diolactone 6 are also reported.     

The coupled-cluster method with a multiconfiguration reference state

The coupled-cluster approach to obtaining the bond-state wave functions of many-electron systems is extended, with a set of physically reasonable approximations, to admit a multiconfiguration reference state. This extension permits electronic structure calculations to be performed on correlated closed- or open-shell systems with potentially uniform precision for all molecular geometries. Explicit coupled cluster working equations are derived using a multiconfiguration reference state for the case in which the so-called cluster operator is approximated by its one- and two-particle components. The evaluation of the requisite matrix elements is facilitated by use of the unitary group generators which have recently received wide attention and use in the quantum chemistry community.     

Crystal and molecular structure of a new biguanide metal complex, [Cu(AMNH)2]Cl2

The crystal structure of C₆H₁₆N₈O₂·CuCl₂, a biguanide metal complex, has been determined by X-ray diffraction data using MoK radiation. The compound crystallizes in the monoclinic space groupP2₁/a, witha=11.074(4),b=12.061(4),c=5.312(3)Å and=102.8(1)°.The structure was solved by direct methods and refined by full-matrix least-squares to a finalR value 0.037 with 1245 unique reflections. The complex molecule is centrosymmetric, with the Cu atom (0.5,0.5,0.5) on a crystallographic center of symmetry. The complex molecule is rhombic planar with a trans configuration.