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  • Articles: DFG German National Licenses  (7)
  • 1995-1999
  • 1985-1989  (7)
  • 1910-1914
  • 1900-1904
  • 1986  (7)
  • crystal structure
  • 1
    Electronic Resource
    Electronic Resource
    Backbone side-chain interactions in peptides (1986)
    Springer
    European biophysics journal 14 (1986), S. 43-51 
    Details
    ISSN: 1432-1017
    Keywords: β-bend ; crystal structure ; hydrogen bond ; infrared spectroscopy ; NMR spectroscopy ; peptide conformation ; X-ray diffraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract IR, 1H-NMR and X-ray experiments have been carried out on dipeptides with the Pro-Asp and Pro-Asn sequences protected on both ends by amide groups. The Pro-Asp dipeptide was investigated for the carboxylic, methyl ester and carboxylate forms of the Asp residue. In solution, all dipeptides are found to accommodate almost exclusively the βI-turn conformation stabilized by an interaction between the Asp or Asn-NH and CγO bonds. The βI-turn percentage roughly parallels the basicity of the Asp or Asn side substituent, and decreases from Asp- to Asn, and to Asp or Asp (OMe). The βI-turn, stabilized by the interaction involving the Asp-CγO site, is retained in the crystal structure of the Pro-Asp(OMe) dipeptide. The Pro-Asp and Pro-Asn dipeptides assume a βII-turn conformation in the solid state and the polar Asp or Asn side-groups are involved in a complex network of intermolecular interactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00260402
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    A reinvestigation of the crystal and molecular structure of (18-crown-6) · 2 CH3NO2:D 3d stabilization via methyl hydrogen-crown oxygen ‘hydrogen bonds’ (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 77-84 
    Details
    ISSN: 1573-1111
    Keywords: 18-Crown-6 ; nitromethane ; crystal structure ; CH...O hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The title compound was crystallized from hot nitromethane. (18-crown-6) · 2CH3NO2 crystallizes in the monoclinic space groupP21/n witha=9.066(3),b=8.284(3),c=14.015(7) Å, β=101.83(5)o andD calc=1.25 g cm−3 forZ=2. Least-squares refinement using 890 independent observed reflections led to a final conventionalR value of 0.084. The hydrogen atoms were located but not refined. The crown ether resides about a crystallographic center of invertion. There are two nitromethane molecules (one centered above and one below the crown ether) weakly interacting with the crown oxygen atoms via the methyl hydrogens stabilizing aD 3d crown conformation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00662084
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    1-Aminoadamantane as guest molecule in dodecasil 1H: an X-ray crystallographic study (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 85-91 
    Details
    ISSN: 1573-1111
    Keywords: clathrasil ; tectosilicate ; 1-aminoadamantane ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Dodecasil 1H, 34SiO2 · 3M12 · 2M12′ · 1M20 with M12, M12′=N2 and M20=1-aminoadamantane, is hexagonal witha=13.825(2) Å,c=11.189(2) Å and crystallizes in space groupP6/mmm. With 767 unique reflexions the structure has been refined to a weighted reliability factorR w =0.054. The three-dimensional four-connected host framework is built by corner sharing [SiO4] tetrahedra and shows three types of cagelike voids, [512] cages, [435663] cages and [51268] cages, the latter housing the 1-aminoadamantane guest molecule. Difference Fourier synthesis ρ(obs)-ρ(calc(Si,O)) delineate the guest molecules within the different types of cage. Residual electron densities reveal positional disorder of the 1-aminoadamantane guest molecule. Four crystallographically different preferred orientations for the 1-aminoadamantane guest molecule are found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00662085
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Reaction of early transition metal complexes with macrocycles. II. Synthesis and structure of TiCl3(H2O) · 18-crown-6, a compound with a unique bidentate bonding mode for the 18-crown-6 molecule (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 241-246 
    Details
    ISSN: 1573-1111
    Keywords: Crown ether ; early transition metal ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract 18-crown-6 reacts with TiCl3 in CH2Cl2 to form a complex in which the crown ether functions as a tridentate ligand. Addition of moist hexane affords a molecular complex in which the crown ether functions as a bidentate ligand. A water molecule is bonded directly to the titanium atom and is further hydrogen bonded to three of the oxygen atoms of the crown. The deep blue crystals of the CH2Cl2 adduct belong to the monoclinic space groupP21/n witha=13.481(8),b=8.021(5),c=21.425(9) Å, β=97.32(5)°, andρ calc = 1.51 g cm−3 forZ=4. Refinement led to a conventionalR value of 0.040 based on 873 observed reflections. The Ti−O bond distances for the crown oxygen atoms are 2.123(8) and 2.154(9) Å, while the oxygen atom of the water molecule is bonded at 2.072(8) Å. The octahedral coordination sphere of the titanium atom is completed by the three chlorine atoms at distances of 2.340(5), 2.352(4), and 2.373(4) Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00657997
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Preparation and structure of (calix[8]arene methyl ether) · 2CDCl3 (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 247-253 
    Details
    ISSN: 1573-1111
    Keywords: calix[8]arene ; crystal structure ; CDCl3 guest
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The methyl ether of calix[8]arene crystallizes from CDCl3 with two molecules of the solvent per molecule of host. An X-ray structural investigation has shown that the CDCl3 guests exist within the calixarene framework. The complex resides on a crystallographic center of inversion, and the cavity is roughly circular in projection as measured by the distance between centroids of aromatic rings related by the center: 14.5, 13.9, 10.1, and 11.2 Å. Six of the oxygen atoms are found on the inside and two on the outside. Crystals belong to the triclinic space group $$P\bar 1$$ witha=11.741(9),b=11.810(9),c=12.484(8) Å, α=94.74(8), β=104.41(8), γ=111.30(9)°, andD c =1.31 g cm−3 forZ=1. Refinement led to a finalR value of 0.086 for 949 observed reflections.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00657998
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    Paper (German National Licenses)
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  • 6
    Electronic Resource
    Electronic Resource
    Studies on clathrasils VIII. Nonasils-[4158], 88SiO2 · 8M8 · 8M9 · 4M20: Synthesis, thermal properties, and crystal structure (1986)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 4 (1986), S. 339-349 
    Details
    ISSN: 1573-1111
    Keywords: Clathrasil ; nonasil ; synthesis ; crystal structure ; porous silica
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Nonasils-[4158], 88SiO2·8M8·8M9·4M20, have been synthesized with 2-methylpyrrolidine, hexamethyleneimine, 2-(aminomethyl)-tetrahydrofuran, 1,2-diaminocyclohexane, 2-methylpiperidine, 2-methylpiperazine, 1-aminobutane, 2-aminobutane, and 2-aminopentane as guest molecules, M20. The samples have been prepared from aqueous silicate solutions which were sealed in silica tubes and heated at about 200°C for several weeks. These clathrasils crystallize in space groupFmmm. For the nonasil with 2-aminopentane as the guest molecule and the unit cell dimensionsa o=22.232(6) Å,b 0=15.058(4) Å, andc o=13.627(4) Å, the structure has been refined using 550 non-equivalent single crystal reflexions to a reliability factorR w =0.125. The 3-dimensional 4-connected silica host framework has three types of cage-like voids, [5464], [4158], and [58612], the latter housing the structure-controlling guest molecules, M20. The non-spherical shape of the guest molecules is the most important factor for the formation of nonasils-[4158]. On heating nonasils-[4158] up to 950°C the organic guest species are driven out and the pure silica form of nonasil is obtained.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00656161
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    Paper (German National Licenses)
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  • 7
    Electronic Resource
    Electronic Resource
    The galactan-binding immunoglobulin Fab J539: An x-ray diffraction study at 2.6-Å resolution (1986)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 1 (1986), S. 74-80 
    Details
    ISSN: 0887-3585
    Keywords: antibody ; crystal structure ; anti-galactan ; J539 ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: The crystal structure of the Fab of the galactan-binding immunoglobulin J539 (a mouse IgA,κ) has been determined at a resolution of approximately 2.6 Å by X-ray diffraction. The starting model was that obtained from the real space search described previously (Navia, M.A., Segal, D.M., Padlan, E.A., Davies, D.R., Rao, D.N., Rudikoff, S. and Potter, M. “Crystal structure of galactan-binding mouse immunoglobulin J539 Fab at 4.5 Å resolution.” Proc. Nat. Acad. Sci. USA, 76:4071-4074, 1979). This Fab structure has now been refined by restrained least-squares procedures to an R-value of 19% for the 11,690 unique reflections between 8.0 Å and 2.6 Å. The rms deviation from ideal bond lengths is 0.025 Å. The overall structure differs from McPC603 Fab, another mouse IgA,κ antibody, in that the elbow bend, relating the variable and constant parts of the molecule, is 145° vs. 133° for McPC603. The region of the molecule expected to be the antigen binding site contains a large cavity with two clefts leading away from it. This has been fitted with a model of an oligo-galactan.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prot.340010112
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    Paper (German National Licenses)
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