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  • 1
    Electronic Resource
    Electronic Resource
    Structural complexity of a polar perhydrotriphenylene inclusion compound brought to light by synchrotron radiation (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 579-590 
    Details
    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The complex diffraction pattern of the heavily disordered co-crystals of perhydrotriphenylene and 1-(4-nitrophenyl)piperazine (5C18H30·C10H13N3O2) has been investigated with synchrotron radiation and an area detector. Five (almost) complete, three-dimensional data sets have been obtained from the tips and the centre of a needle-like crystal at room temperature and 120 K. They revealed a rich variety of features including one,- two- and three-dimensional diffuse scattering, as well as incommensurate satellites. At the centre and one tip of the crystal the symmetry appears to be orthorhombic, whereas at the other tip the symmetry of the satellites and of some of the diffuse scattering is clearly monoclinic, indicating that the crystal is not homogeneous. Most of the scattering could be assigned to R/S occupational disorder of the chiral host molecules, to positional disorder of the guest molecules or to local distortions of the average structure. Assignments are based on the disorder deduced from the average structure and the molecular form factors of host and guest molecules which show characteristic patterns in reciprocal space. Two smaller, orthorhombic twin fragments and an additional phase with hexagonal symmetry have also been found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108768101005468
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  • 2
    Electronic Resource
    Electronic Resource
    3-(tert-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293 K (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 1170-1172 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: In the room-temperature X-ray structure of the N-Boc-protected derivative of the novel 3-aminobicyclo[1.1.1]pentanecarboxylic acid, C11H17NO4, the interbridgehead distance in the bicyclo[1.1.1]pentane cage is 1.852 (2) Å. The carboxyl and parts of the blocked amino group are almost in plane with one of the cage triangles. N—H...O and O—H...O hydrogen bonds generate infinite corrugated molecular chains in the crystal lattice.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100008994
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  • 3
    Electronic Resource
    Electronic Resource
    Lu2SiO5 by single-crystal X-ray and neutron diffraction (2001)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 668-669 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The structure of dilutetium silicon pentaoxide, Lu2SiO5, has isolated ionic SiO4 tetrahedral units and non-Si-bonded O atoms in distorted OLu4 tetrahedra. The OLu4 tetrahedra form edge-sharing infinite chains and double O2Lu6 tetrahedra along the c axis. The edge-sharing chains are connected to the O2Lu6 double tetrahedra by isolated SiO4 units. The structure has been determined by neutron diffraction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270101005352
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  • 4
    Electronic Resource
    Electronic Resource
    Effects of different post-crystallization soaking conditions on the diffraction of Mtcp1 crystals (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 763-765 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The crystal structure of human Mtcp1 was determined at 2 Å resolution after the X-ray diffraction limit was improved by post-crystallization soaking in 2.0 M ammonium sulfate for 1–5 months. The effects of varying the ammonium sulfate concentration and addition of polyethylene glycol to the soaking solution were examined in order to understand the phenomenon and to reduce the soaking time. Soaking the crystal for one week in a solution of 1.5 M ammonium sulfate and 2% PEG 3400 gave the desired improvement in diffraction quality. Therefore, different soaking conditions should be explored when crystals show disordered and low-resolution diffraction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0907444901002505
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  • 5
    Electronic Resource
    Electronic Resource
    Structure of murine Tcl1 at 2.5 Å resolution and implications for the TCL oncogene family (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. 1545-1551 
    Details
    ISSN: 1399-0047
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: Tcl1 and Mtcp1, members of the Tcl1 family, are implicated in T-cell prolymphocytic leukemia. The crystal structure of a dimer of murine Tcl1 has been determined at 2.5 Å resolution with an R factor of 0.225. Murine Tcl1, human Tcl1 and Mtcp1 share very similar subunit structures, with RMS differences of 0.6 and 1.4 Å for Cα atoms, respectively, while the sequences share 50 and 36% identity, respectively. These structures fold into an eight-stranded β-barrel of unique topology and high internal symmetry of 1.1–1.3 Å for the two halves of human and murine Tcl1 and 1.7 Å for Mtcp1, despite the low 12–13% sequence identity. The molecular surfaces of all three structures showed a common planar region which is likely to be involved in protein–protein interactions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S090744490101352X
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  • 6
    Electronic Resource
    Electronic Resource
    Inclusion of HNEt3+ in an acyclic tetraphenolate (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 997-998 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The acyclic tetraphenolic derivative 2,2′-methylenebis[6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenol] reacts with excess triethylamine in acetonitrile to form a molecular complex, i.e. triethylammonium 2-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-6-[3-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2-hydroxy-5-methylbenzyl]-4-methylphenolate acetonitrile solvate, C6H16N+·C39H47O4−·C2H3N, where the organic HNEt3+ cation is included in the partial cone defined by the aromatic faces of the acyclic polyphenolate.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100006582
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  • 7
    Electronic Resource
    Electronic Resource
    Longitudinal positional ordering of n-alkane molecules in urea inclusion compounds (2000)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 132-141 
    Details
    ISSN: 1600-5740
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The profiles of diffuse layers, which are present in diffraction patterns of urea inclusion compounds, are interpreted quantitatively by a longitudinal positional paracrystalline order of the alkane guest molecules within the channels of the urea-host framework structure, in agreement with the expected behaviour of a one-dimensional system. With decreasing temperature there is a gradual transition into long-range order behaviour. This ordering process remains unaffected by structural changes related to lateral correlations within and between both host and guest substructures, including a structural phase transformation. The differing behaviour of a mixed system (pentadecane/hexadecane) with average period almost commensurate with the urea host lattice is explained by the superposition of main and satellite layers. The distribution of both molecules within each tunnel is random.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108768199010617
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