In 1-cyclohexyl-6,6,8a-trimethyl-3a,6,7,8a-tetrahydro-1H-1-benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione, C19H27NO3, (I), and the isomorphous compounds 6,6,8a-trimethyl-1-phenyl-3a,6,7,8a-tetrahydro-1H-1-benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione, C19H21NO3, (II), and 6,6,8a-trimethyl-1-(3-pyridyl)-3a,6,7,8a-tetrahydro-1H-1-benzofuro[2,3-b]pyrrole-2,4(3H,5H)-dione, C18H20N2O3, (III), the tetrahydroben...

Platelet factor 4 (PF4), which is released by platelets during coagulation, binds very tightly to negatively charged oligosaccharides such as heparin. To date, six other proteins are known that are homologous in sequence with PF4 but have quite different functions. The structure of a tetramer of bovine PF4 complexed with one Ni(CN)4(2-) molecule has been determined at 3.0 A resolution and refin...

Probabilistic methods involving maximum-likelihood parameter estimation have become a powerful tool in computational crystallography. At the centre of these methods are the relevant probability distributions. Here, equations are developed based on the complex multivariate normal distribution that generalize the distributions currently used in maximum-likelihood model and heavy-atom refinement. ...

The hysteretic spin-transition in isomorphous [FeL2][ClO4]2·solv (solv = MeCN or EtCN) has the same midpoint temperature, but is split into two steps via a re-entrant intermediate phase EtCN solvate.

The title compound, C(38)H(50)O(5) {systematic name: 10-(3-hy-droxy-benzo-yl)-2,2,7,7-tetra-methyl-3,6,8-tris-(3-methyl-but-2-en-yl)-3,4,4a,5,6,7-hexa-hydro-4a,8-methano-2H-cyclo-octa-[b]pyran-9,11(8H)-dione}, is a polyisoprenylated benzophenone, isolated for the first time from the fruits of Garcinia indica during our investigation of bioactive compounds from this plant and their large-scale e...

The structure of Sindbis virus core protein has been determined by a combination of multiple isomorphous replacement and molecular replacement averaging techniques. The multiple isomorphous replacement phase determinations were made for two crystal forms (P2(1) and P4(3)2(1)2) of the core protein. The real-space molecular replacement averaging was subsequently carried out between two copies of ...

Introduction Determining crystallographic phases remains a key step in the solution of macromolecular structures. For most novel structures, phases must be determined experimentally using methods that rely on finding the positions of a few special (either electron-dense ‘heavy’, or anomalously scattering) atoms. The scattering contribution of these atoms, in combination with knowledge of their ...

Electrolysis of Na and K salts of the anion dicyano(phthalocyaninato)cobalt(III) (Co(Pc)(CN)2) in ethanol yields one-dimensional partially oxidized salts of A[Co(Pc)(CN)2]2.4(EtOH) (A = Na and K). The cationic component is the supramolecular cation [A(EtOH)4] , which forms hydrogen bonds with the CN ligands of the Co(Pc)(CN)2 units. The crystal shows metallic conductivity, in contrast to the th...