scholarly journals BIODIFF: Diffractometer for large unit cells

2015 ◽  
Vol 1 ◽  
Author(s):  
Andresas Ostermann ◽  
Tobias Schrader
Keyword(s):  
Hydrogen Atom ◽  
Single Crystal ◽  
Structure Analysis ◽  
Structure Determination ◽  
Biological Macromolecules ◽  
Main Field ◽  
Large Unit ◽  
Neutron Structure ◽  
Unit Cells

The single crystal diffractometer BIODIFF, which is jointly operated by the Technische Universität München and JCNS, Forschungszentrum Jülich, is designed to handle crystals with large unit cells and is dedicated to the structure determination of biological macromolecules. The main field of application is the neutron structure analysis of proteins, especially the determination of hydrogen atom positions.

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

Wechselwirkungen in Molekülkristallen, 160 [1,2]. Kristallzüchtung und Strukturbestimmung der verschiedenartigen Polyphenyl-Kontaktionenmultipel [p-Quaterphenylee⊖⊖][Na⊕(DME)3]2, [p-Quaterphenyl⊖⊖(Na⊕(THF)3)2] und [p-Terphenyl⊖⊖Na⊕(DME)2Na⊕(DME)]2 / Interaction in Molecular Crystals, 160 [1, 2]. Crystallization and Structure Determination of the Different Polyphenyl Contact Ion Multiples [p-Quaterphenylee⊖⊖][Na⊕(DME)3]2, [p-Quaterphenyl⊖⊖(Na⊕(THF)3)2] und [p-Terphenyl⊖⊖Na⊕(DME)2Na⊕(DME)]2

2000 ◽  
Vol 55 (12) ◽  
pp. 1103-1113 ◽  
Author(s):  
Hans Bock ◽  
K. Gharagozloo-Hubmann ◽  
M. Sievert
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Sodium Salt ◽  
Structure Determination ◽  
Metal Cation ◽  
Molecular Crystals ◽  
Sodium Salts ◽  
Structure Determinations ◽  
Cation Coordination

The π-hydrocarbons p-terphenyl and p-quaterphenyl are reduced to their dianions in aprotic solutions of different ethers at sodium metal mirrors. Single crystal structure determinations of the solvent-separated or solvens-shared contact ion multiples, [p-terphenyl⊖⊖ Na⊕(DME)2Na⊕DME]2, p-quaterphenyl⊖⊖ ][Na⊕(DME)3]2 and [p-quaterpheny⊖⊖( Na⊕(THF)3)2], prove the essential cation solvation by the chelating dimethoxyethane (DME) versus the bulky tetrahydrofuran (THF) ligands: The solution network of equilibria between solvent separated and solvent shared ion aggregates can be considerably and transparently modified by the ether solvent selected. In addition, the structures of the monomeric sodium salts reveal partly novel details of metal cation coordination by contacts Na⊕ ··· O as well as Na⊕ ··· Cπ such as in the dimeric sodium salt of p-terphenyl dianion, [(DME)2Na⊕ (terphenyl⊖⊖)(Na⊕ DME)(terphenyl⊖⊖)Na⊕ (DME)2].

Magnetic Structure Determination of CeT2Al10 (T = Ru and Os): Single Crystal Neutron Diffraction Studies

2011 ◽  
Vol 80 (7) ◽  
pp. 073701 ◽  
Author(s):  
Harukazu Kato ◽  
Riki Kobayashi ◽  
Tomoaki Takesaka ◽  
Takashi Nishioka ◽  
Masahiro Matsumura ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Single Crystal ◽  
Magnetic Structure ◽  
Structure Determination

Single crystal structure determination of cetylpyridiniumammonium bromide and Rietveld structure determination of cetylquinuclidinium bromide

1998 ◽  
Vol 213 (2) ◽  
Author(s):  
P. Ballirano ◽  
R. Caminiti ◽  
C. Sadun ◽  
V. M. Coiro ◽  
G. Mancini ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Determination ◽  
Single Crystal Structure ◽  
Crystal Structure Determination ◽  
Tetraalkylammonium Bromide ◽  
Structure Solution

AbstractThe structures of cetylpyridiniumammonium bromide (CPyB) and cetylquinuclidinium bromide (CQB), two tetraalkylammonium bromide surfactants, are reported. In particular, whereas the structure solution of CPyB was carried out through conventional single-crystal diffractometry, the structure of CQB has been determined by means of powder diffractometry. CPyB crystallizes in

Studies of Australian soft corals. XXXII. The structure determination of degraded xenicin-type diterpenes from several Efflatounaria species

1983 ◽  
Vol 36 (11) ◽  
pp. 2279 ◽  
Author(s):  
BF Bowden ◽  
JC Coll ◽  
VA Patrick ◽  
DM Tapiolas
Keyword(s):  
Single Crystal ◽  
Chemical Transformation ◽  
Structure Determination ◽  
High Field ◽  
Soft Corals ◽  
X Ray ◽  
The Third

Three new diterpenes have been isolated from soft corals of the genus Efflatounaria (Coelenterata, Octocorallia, Alcyonacea, Xeniidae). The structure of the first compound (4) was elucidated on the basis of high-field 1H n.m.r. spectroscopy while that of the second metabolite (5) was determined by single-crystal X-ray analysis. The third diterpene (6) was structurally related to (5), and its structure was confirmed by chemical transformation. All three diterpenes can be derived from xenicin-type precursors, by cleavage and recyclization.

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