Recognition of insoluble tartaric acid in chloroform

The structure of D,L-glyceraldehyde has been redetermined by means of synchrotron and conventional X-radiation. At 295 K lattice parameters in monoclinic space group P2 1 /n are: a=6.403 (2) A, b=6.961 (2) A, c=8.830 (3) A, β=105.00 (2) o , V=380.12 A 3 , Z=2. Three independent data sets of crystals with crystal volumes of 0.00009 and 0.02 mm 3 are compared. As a main advantage of the synchrotron experiment it was found that its results obtained with the small crystal are of similar precision compared to those based on the larger crystal measured with a conventional tube

Crystal structure redetermination of the D,L-glyceraldehyde dimer: A comparison of synchrotron and conventional X-ray diffraction data

80 years after its discovery X-ray diffraction presents itself as an outstanding method in structure determination which allows the most safe and accurate geometrical data of chemical structures to obtain compared to most other experimental methods. The major innovations in the recent past and the present state of crystal structure analysis are described together with some examples in inorganic and organic chemistry, including the use of synchrotron radiation.



A variety of additional applications can be considered if the diffraction experiment is executed at low temperatures. Nitrogen gas stream devices and closed cycle helium cryostats are compared and their advantages/disadvantages are discussed. Finally some applications such as low temperature crystallization, temperature dependent structure analysis down to 20 K and deformation density work are illustrated.



80 Jahre nach ihrer Entdeckung prasentiert sich die Rontgenstrukturanalyse als eine ausgezeichnete Methode der Strukturbestimmung, mit der im Vergleich zu anderen experimentellen Techniken die sichersten, genauesten und umfangreichsten geometrischen Daten chemischer Strukturen erhalten werden konnen. Nach einem Uberblick uber die wichtigsten Innovationen in den letzten Jahren wird der gegenwartige Stand der Kristallstrukturanalyse dargestellt mit Anwendungsbeispielen aus der anorganischen und organischen Chemie, einschlieslich der Nutzung von Synchrontronstrahlung.



Eine Vielzahl weiterer Anwendungen ist moglich, wenn das Beugungsexperiment bei tiefen Temperaturen stattfindet. Stickstoff-Gasstromanlagen und geschlossene Helium-Kryostaten werden verglichen und ihre Vor- bzw. Nachteile diskutiert. Schlieslich werden Anwendungen wie Tieftemperaturkristallisation, temperaturabhangige Strukturanalyse (bis 20 K) und Deformationsdichtebestimmung behandelt.

Crystal Structure Analysis at Normal and Low Temperature Conditions

Abstract The history of electron density (ED) research is surveyed and its historical highlights in the 20th century are summarized. The progress, reached at the beginnig of the 21st century, is described including contributions from the Berlin school. Key experimental advances concern X-ray sources and synchrotron radiation, measuring reflection data at very low temperatures (down to ~10 K), as well as the introduction of area detectors. Methodological progress was reached by new software systems for the refinement and analysis of ED data sets. This allowed to obtain quantitative ED properties, making use of Bader’s Quantum Theory of Atoms in Molecules (QTAIM). More recently methods, which combine experimental X-ray data and quantum-chemically derived wave functions, established the rapidly developing new field of “Quantum Crystallography.”

Electron density: historical remarks with a focus on the Berlin school

The fully reversible synthesis of noncovalent assemblies which are held together by directed bonds is called synkinesis Micellar fibres with a distinct stereochemistry and gels are formed by amphiphiles forming strong hydrogen bonds between chiral head groups The 3D-crystallization of such molecular assemblies, without dominating repulsive hydration forces, is prevented by the curvature of the fibres Curvature might perhaps be directly connected with chirality Addition of enantiomers often leads to an irreversible destruction of gels Recent developments relating to ‘hydrophobic water’ in Angstrom-wide membrane gaps are also shortly discussed

/pdf/non-covalent-chiral-fibres-in-aqueous-gels-and-their-1m4cdt1hf2.pdf

Non-covalent chiral fibres in aqueous gels and their functionalization

Kristallstruktur einer racemischen Lipid‐Doppelschicht bestimmt mit Synchrotronstrahlung

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Kristallstruktur einer racemischen Lipid‐Doppelschicht bestimmt mit Synchrotronstrahlung