Dr. Birger Dittrich's Group Publications

Dr. Birger Dittrich
Universität Göttingen
Institut für Anorganische Chemie
Tammannstraße 4
D-37077 Göttingen
Germany

Room: 306
tel +49 551 39 19405
mail: bdittri@gwdg.de


    2010

  1. Markus Leibeling, Dennis C. Koester, Martin Pawliczek, Daniel Kratzert, Birger Dittrich and Daniel B. Werz
    Hybrids of sugars and aromatics: A Pd-catalyzed modular approach to chromans and isochromans
    Bioorg. Med. Chem.18 (2010), ???-???.
  2. Birger Dittrich, Jack M. Harrowfield, George A. Koutsantonis, Gareth L. Nealon and Brian W. Skelton
    Long tailed cage amines: Synthesis, metal complexation, and structure
    Dalton Trans. 39 (2010),3433-3448 .

    3. 2009

  3. Birger Dittrich, Christian B. Hübschle, Julian J. Holstein, Francesca P. Fabbiani
    Towards extracting the charge density from normal-resolution data
    J. Appl. Cryst. 42 (2009), 1110-1121.

  4. Birger Dittrich, Manuela Weber, Roman Kalinowski, Simon Grabowsky, Christian B. Hübschle and Peter Luger
    How to easily replace the independent atom model - the example of bergenin, a potential anti-HIV agent of traditional Asian medicine
    Acta Cryst. B65 (2009), 749-756.

  5. Stefan Mebs, Julian Henn, Birger Dittrich, Carsten Paulmann, and Peter Luger
    Electron Densities of Three B12 Vitamins
    J. Phys. Chem. A113(2009), 8366 - 8378.

  6. Tobias F. Schneider, Johannes Kaschel, Birger Dittrich and Daniel B. Werz
    anti-Oligoannelated THF Moieties: Synthesis via Push - Pull-Substituted Cyclopropanes
    Org. Lett. 11(2009), 2317 - 2320.

  7. S. K. J. Johnas, B. Dittrich, A. Meents, M. Messerschmidt and E. F. Weckert
    Charge-density study on cyclosporine A
    Acta Cryst. D65 (2009), 284 - 293.

  8. Alke Meents, Birger Dittrich and Sascha Gutmann
    A new aspect of specific radiation damage: hydrogen abstraction from organic molecules
    J. Synchrotron Rad. 16 (2009), 183 - 190.

  9. Birger Dittrich, John E. Warren, Francesca P. A. Fabbiani, Wolfgang Morgenroth and Ben Corry
    Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation
    Phys. Chem. Chem. Phys.11 (2009), 2601 - 2609.

  10. Francesca P. A. Fabbiani, Birger Dittrich, Alastair J. Florence, Thomas Gelbrich, Michael B. Hursthouse, Werner F. Kuhs, Norman Shankland and Heidrun Sowa
    Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure
    CrystEngComm (2009), DOI: 10.1039/b822987b .

    11. 2008

  11. B. Dittrich, J. J. McKinnon and J. E. Warren
    Improvement of anisotropic displacement parameters from invariom-model refinements for three L-hydroxylysine structures
    Acta Cryst. B64 (2008), 750 - 759.

  12. Francesca P. A. Fabbiani and Birger Dittrich
    Redetermination and invariom refinement of 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4- dihydroquinoline-3-carboxylate hexahydrate at 120 K
    Acta Cryst. E64(2008), o2354 - o2355.

  13. C. B. Hübschle, B Dittrich, S. Grabowsky, M. Messerschmidt and P Luger
    Comparative experimental electron density and electron localization function study of thymidine based on 20 K X-ray diffraction data
    Acta Crystallogr. B64 (2008), 363-374.

  14. D. Jayatilaka and B. Dittrich
    X-ray structure refinement using aspherical atomic density functions obtained from quantum-mechanical calculations.
    Acta Crystalogr. A64 (2008), 383-393.

  15. A. Meents, B. Dittrich, S. K. J. Johnas, V. Thome and E. F. Weckert
    Charge-density studies of energetic materials: CL-20 and FOX-7.
    Acta Crystalogr. B64(2008), 42-49.

    16. 2007

  16. B. Dittrich, T. Koritsanszky, A. Volkov, S. Mebs, P. Luger.
    Novel Approaches to the Charge Density of Vitamin B12.
    Angew. Chem. int. ed. 46 (2007), 2935-2938.

  17. C. B. Hübschle, P. Luger, B. Dittrich.
    Automation of Invariom and of Experimental Charge Density Modelling of Organic Molecules with the Preprocessor Program InvariomTool.
    J. Appl. Cryst. 40 (2007), 623-627.

  18. B. Dittrich, P. Munshi, M. A. Spackman.
    Redetermination, Invariom-model and Multipole refinement of L-ornithine Hydrochloride.
    Acta Crystallogr. B63 (2007), 505-509.

  19. M. A. Spackman, P. Munshi, B. Dittrich.
    Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data.
    Chem. Phys. Chem. 8 (2007), 2051-2063.

  20. B. Dittrich, M. A. Spackman.
    Can the Interaction Density be Measured? The Example of the Non-standard Amino Acid Sarcosine.
    Acta Crystallogr. A63 (2007), 426-436.

  21. R. Kalinowski, B. Dittrich, C. B. Hübschle, C. Paulmann, P. Luger.
    Experimental Charge Density of L-alanyl-L-prolyl-L-alanine Hydrate: Classical Multipole and Invariom Approach, Analysis of Intra- and Intermolecular Topological Properties.
    Acta Crystallogr. B63 (2007), 753-767.

  22. L. Checinska, S.I. Troyanov, S. Mebs, C.B. Hübschle, Luger, P.
    Examination of intermolecular electronic interactions in the crystal structure of C60(CF3)(12) by experimental electron density determination
    Chem. Com., (2007) 4003-4005.

  23. D. Förster, A. Wagner, C.B. Hübschle, C. Paulmann, P. Luger
    Charge density of L-alanyl-glycyl-L-alanine based on X-ray data collection periods from 4 to 130 hours
    Z. Krist. B., 62, (2007), 696-704.

  24. C.B. Hübschle, S. Scheins, M. Weber, P. Luger, A. Wagner, T. Koritsanszky, S.I. Troyanov, O.V. Boltalina, I.V. Goldt
    Bond orders and atomic properties of the highly deformed halogenated fullerenes C60F18 and C60Cl30 derived from their charge densities
    Chem. Eur. J., 13, (2007), 1910-1920.

    25. 2006

  25. E. Rödel, M. Messerschmidt, B. Dittrich, P. Luger.
    Atomic and Bond Topological Properties of the Tripeptide L-Alanyl-L-alanyl-L-alanine Based on its Experimental Charge Density Obtained at 20 K.
    Org. Biomol. Chem. 4 (2006), 475-481, "hot article".

  26. B. Dittrich, M. Strümpel, T. Koritsánszky, M. Schäfer, M. A. Spackman.
    Invarioms for Improved Absolute Structure Determination of Light-atom Crystal Structures.
    Acta Crystallogr. A62 (2006), 217-223.

  27. R. Kingsford-Adaboh, E. Ahiano, B. Dittrich, H. Okamoto, M. Kimura, H. Ishida.
    Crystal Structure of 4 -O-methylalpinumisoflavone at 90K.
    Cryst. Res. Technol. 41 (2006), 728-733.

  28. R. Kingsford-Adaboh, B. Dittrich, C. B. Hübschle, W. S. K. Gbewonyo, H. Okamoto,
    M. Kimura, H. Ishida.
    Invariom Structure Refinement, Electrostatic Potential and Toxicity of 4-O-methylalpinumisoflavone,O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone.
    Acta Crystallogr. B62 (2006), 843-849.

  29. B. Dittrich, P. Munshi, M. A. Spackman.
    Invariom-model Refinement of L-valinol.
    Acta Crystallogr. C62 (2006), o633-o635.

  30. B. Dittrich, C. B. Hübschle, P. Luger, M. A. Spackman.
    Introduction and Vaidation of an Invariom Database for Amino-acid, Peptide and Protein Molecules.
    Acta Crystallogr. D62 (2006), 1325-1335.

  31. C.B. Hübschle, P. Luger
    MolIso - a program for colour-mapped iso-surfaces
    J. Appl. Cryst., 39, (2006), 901-904.

  32. L. Checinska, S. Mebs, C.B. Hübschle, D. Förster, W. Morgenroth, P. Luger
    Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine Org. Biomol. Chem., 4, (2006), 3242-3251.

    33. 2005

  33. B. Dittrich, C. B. Hübschle, M. Messerschmidt, R. Kalinowski, D. Girnt, P. Luger.
    The Invariom Model and its Application: Refinement of D,L-Serine at Different Temperatures and Resolution.
    Acta Crystallogr. A61 (2005), 314-320.

  34. P. Luger, A. Wagner, C.B. Hübschle, S.I. Troyanov
    Experimental advances for high-speed evaluation of electron densities
    J. Phys. Chem. A, 109, (2005), 10177-10179.

    35. 2004

  35. A. E. Whitten, B. Dittrich, M. A. Spackman, P. Turner, T. C. Brown.
    Charge Density Analysis of Two Polymorphs of Antimony(III) Oxide.
    Dalton Trans. 1, (2004), 23-29.

  36. B. Dittrich, T. Koritsánszky, P. Luger.
    Ein einfacher Zugang zu asphärischen Elektronendichten mithilfe von Invariomen.
    A Simple Approach to Nonspherical Electron Densities by Using Invarioms.
    Angew. Chem. 116, (2004), 2773-2776.
    Angew. Chem. int. ed. engl. 43, (2004), 2718-2721.

  37. S. Scheins, B. Dittrich, M. Messerschmidt, C. Paulmann, P. Luger.
    Atomic Volumes and Charges in a System With a Strong Hydrogen Bond:
    L-Tryptophan formic acid
    Acta Crystallogr. B60 (2004), 184-190.

  38. A. Wagner, R. Flaig, D. Zobel, B. Dittrich, P. Bombicz, M. Strümpel, P. Luger,
    T. Koritsánszky, H.-G. Krane.
    Charge Density and Experimental Electrostatic Potentials of Two Penicillin Derivatives.
    Chem. Eur. J. 10 (2004) 2977-2982.

  39. C.B. Hübschle, M. Messerschmidt, D. Lentz, P. Luger
    Charge density redetermination and topological anaysis of beta-diboran at 94 K
    Z. Anorg. Allg. Chem.,630,(2004), 1313-1316.

  40. C.B. Hübschle, M. Messerschmidt, P. Luger
    Crystal structure of DL-tryptophan at 173K
    Cryt. Res. Tec., 39, (2004), 274-278.

    41. 2003

  41. B. Dittrich, S. Scheins, C. Paulmann, P. Luger.
    Transferability of Atomic Volumes and Charges in the Peptide Bond Region in the Solid State.
    J. Phys. Chem. A 107, (2003), 7471-7474.

    42. 2002

  42. R. Kingsford-Adaboh, B. Dittrich, A. Wagner, M. Messerschmidt, R. Flaig, P. Luger.
    Topological Analysis of DL-Arginine Monohydrate at 100 K.
    Zeitschrift Kristallogr. 217 (2002), 168-173.

  43. R. Flaig, T. Koritsánszky, B. Dittrich, A. Wagner, P. Luger.
    Intra- and Intermolecular Topological Properties of Amino Acids: A Comparative Study of Experimental and Theoretical Results.
    J. Am. Chem. Soc. 124 (2002), 3407-3417.

  44. A. Wagner, R. Flaig, D. Zobel, B. Dittrich, P. Bombicz, M. Strümpel, P. Luger,
    T. Koritsánszky, H.-G. Krane.
    Structure and Charge Density of a C60-Fullerene Derivative Based on a High Resolution Synchrotron Diffraction Experiment at 100 K.
    J. Phys. Chem. A 106 (2002) 6581-6590.

  45. B. Dittrich, T. Koritsánszky, M. Grosche, W. Scherer, R. Flaig, A. Wagner, H. G. Krane, H. Kessler, C. Riemer, A. M. M. Schreurs, P. Luger.
    Reproducability and Transferability of Topological Properties; Experimental Charge Density of the Hexapeptide Cyclo-(D,L-Pro2)-(L-Ala)4 Monohydrate.
    Acta Crystallogr. B58 (2002), 721-727.

  46. C. Hübschle, B. Dittrich, P. Luger.
    L-Tryptophan formic acid at 183 K
    Acta Crystallogr. C58 (2002), o540-o542.

    47. 2000

  47. B. Dittrich, R. Flaig, T. Koritsánszky, H.-G. Krane, W. Morgenroth, P. Luger.
    Topological Properties of the Peptid Bond in Glycyl-L-threonine Dihydrate Based on a Fast Synchrotron/CCD-Diffraction Experiment at 100 K.
    Chem. Eur. J. 6 (2000), 2582-2589.

  48. R. Kingsford-Adaboh, M. Grosche, B. Dittrich, P. Luger.
    DL-Arginine Monohydrate at 100 K
    Acta Crystallogr. C56 (2000), 1274-1276.

  49. P. Bombicz, B. Dittrich, M. Strümpel, H. P. Nabein, P. Luger.
    Racemic Dipeptide Glycyl-DL-leucine at 120 K.
    Acta Crystallogr. C56 (2000), 1447-1449.

    50. 1997

  50. M. A. Chaubon, B. Dittrich, J. Escudié, H. Ramdane, H. Ranaivonjatovo, J. Satgé.
    New (2,4,6-triisopropylphenyl) Hydro-, Halo- and Hydrohalogermanes.
    Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry 27 (1997), 519-533.

Promotion

Dissertation zum Thema ,,Herleitung atomarer Eigenschaften von Oligopeptiden aus ihren experimentellen Elektronendichten`` mit dem Urteil ,,summa cum laude`` (13. Dezember 2002).


Buchkapitel

P. Luger, B. Dittrich.
Fragment Transferability Studied Theoretically and Experimentally with QTAIM -- Implications for Electron Density and Invariom Modelling.
In: The Quantum Theory of Atoms in Molecules, Editors: C. F. Matta and R. J. Boyd, Wiley VCH, Weinheim, 2007, pp. 317-342.