Crystallography
The latest chemistry news and research on crystallography, including x-ray and neutron diffraction, single crystal and powder diffraction and protein crystallography, from the Royal Society of Chemistry's magazine, Chemistry World
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ResearchMicrocrystal electron diffraction promises a revolution in study of proteins, small molecules
Technique offers a way to get around problems with hard-to-crystallise proteins, already scoring impressive successes with a Parkinson’s protein
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FeatureAnalysing a chemist’s wish-list
Analytical techniques have come a long way, but what does the future hold? Rachel Brazil asks the experts what they’d like to see
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FeatureThe irregular habits of crystals
Centuries of study have refined theories of how substances with periodically ordered structures behave. Anna Demming talks to the researchers exploring where these theories can apply in materials that are not ordered periodically, or even ordered at all
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ResearchAI tool outperforms existing x-ray structure methods
Deep learning approach determines phase of diffracted beams with lower-quality data
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ResearchAmorphous clusters across a vast range of sizes found to affect crystal nucleation
The clusters provide sites for nucleation, which contradicts classical nucleation theory
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ResearchIntermediate considered ‘too reactive to isolate’ finally tamed
Nitrene species stabilised for three days with careful choice of substituent
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FeatureMarvellous mixtures of metals
High entropy alloys, with anywhere from five or more different metals, have unusual properties and could find use in a variety of high-tech applications. Clare Sansom reports
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ResearchUnusual bridging fluorine discovered in one-of-a-kind interhalogen ion
Similarity to MgAgAs crystal structure takes researchers by surprise
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OpinionCrystal prophecies
There’s no guarantee that making a thermodynamically feasible structure will be easy, or even possible
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ResearchMolecular movie captures DNA repair from start to finish
Study spans pico- to microsecond timescales to uncover enzymatic process
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ResearchNew insights into polyamorphism could influence how drugs are formulated
Findings suggest dihedral angle distribution might explain why polyamorphs have different physical properties
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FeatureReaching into the non-covalent toolbox
Alongside supramolecular stalwarts, budding bonding forms are vying to be valuable, finds Andy Extance
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ResearchCrystal structure predictions get real with accurate calculations that will aid pharma
Characterisation engine could help drug companies avoid costly mistakes like those that hit Aids drug ritonavir
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ResearchElusive crystals provide structural evidence of global aromaticity in a macrocyclic hydrocarbon
Reduced forms of [24]paracyclophanetetraene provide fresh understanding of redox-based aromaticity switching
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WebinarCO₂ storage, magic doors and machine learning
Learn how machine learning based simulations with Matlantis help rationalise long-time CO₂ storage experimental results
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FeatureFifty years since the ferrocene furore
Only two of the discoverers of the sandwich compounds that revolutionised organometallic chemistry received the Nobel prize, leaving one very big name feeling left out. Mike Sutton traces the controversy
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ResearchFirst x-ray structure of radium compound gives glimpse of element’s coordination chemistry
Oak Ridge National Laboratory team determines the single crystal structure of a radium complex
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WebinarUsing crystallographic structures & data-driven solutions to advance drug design
The recording for this webinar is now available directly via the CCDC website – see below for details
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ResearchCrystal structure prediction tool a ‘significant and thought-provoking advance’
Algorithm needs just the chemical formula to find the ground state of a crystalline compound