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Alexandra K. Wolf
Researcher at Goethe University Frankfurt
Publications - 6
Citations - 435
Alexandra K. Wolf is an academic researcher from Goethe University Frankfurt. The author has contributed to research in topics: Crystal structure & Powder diffraction. The author has an hindex of 5, co-authored 6 publications receiving 410 citations.
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Journal ArticleDOI
Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test.
Graeme M. Day,Timothy G. Cooper,Aurora J. Cruz-Cabeza,Katarzyna E. Hejczyk,Herman L. Ammon,Stephan X. M. Boerrigter,Jeffrey S. Tan,Raffaele Guido Della Valle,Elisabetta Venuti,Jovan Jose,Shridhar R. Gadre,Gautam R. Desiraju,Tejender S. Thakur,Bouke P. van Eijck,Julio C. Facelli,Victor E. Bazterra,Marta B. Ferraro,D. W. M. Hofmann,Marcus A. Neumann,Frank J. J. Leusen,John Kendrick,Sarah L. Price,Alston J. Misquitta,Panagiotis G. Karamertzanis,Gareth W. A. Welch,Harold A. Scheraga,Yelena A. Arnautova,Martin U. Schmidt,Jacco van de Streek,Alexandra K. Wolf,Bernd Schweizer +30 more
TL;DR: The results reflect important improvements in modelling methods and suggest that, at least for the small and fairly rigid types of molecules included in this blind test, such calculations can be constructively applied to help understand crystallization and polymorphism of organic molecules.
Journal ArticleDOI
Electron diffraction, X‐ray powder diffraction and pair‐distribution‐function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9
Martin U. Schmidt,Stefan Brühne,Alexandra K. Wolf,Anette Rech,Jürgen Brüning,Edith Alig,Lothar Fink,Christian Buchsbaum,Jürgen Glinnemann,Jacco van de Streek,Fabia Gozzo,Michela Brunelli,Frank Stowasser,Tatiana Gorelik,Enrico Mugnaioli,Ute Kolb +15 more
TL;DR: The crystal structure of the nanocrystalline alpha phase of Pigment Yellow 213 was solved by a combination of single-crystal electron diffraction and X-ray powder diffraction, despite the poor crystallinity of the material.
Journal ArticleDOI
Packing of tetrahedral EX4 molecules with E = C, Si, Ge, Sn, Pb and X = F, Cl, Br, I
TL;DR: In this article, the crystal structures of EX4 molecules with E = C, Si, Ge, Sn, Pb and X = F, Cl, Br and I were investigated by geometrical packing analysis, lattice-energy minimisations and analysis of the halogen-halogen interactions.
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Predicted crystal structures of tetramethylsilane and tetramethylgermane and an experimental low‐temperature structure of tetramethylsilane
TL;DR: Low-temperature crystallization at 100 K resulted in a single crystal, and its crystal structure has been determined and corresponds to the predicted structure with the second lowest energy rank.
Journal ArticleDOI
Local atomic order in sodium p-chlorobenzenesulfonate monohydrate studied by pair distribution function analyses and lattice-energy minimisations
Alexandra K. Wolf,Stefan Brühne,Jürgen Glinnemann,Chunhua Hu,Michael T. Kirchner,Martin U. Schmidt +5 more
TL;DR: In this paper, a single-crystal structure analysis of Na[C6H4ClO3S]·H2O was performed using X-ray single crystal structure analysis.