A recent study analysed 635 pairs of crystal polymorphs and found that Z’ = 1 crystal structures are slightly more likely to be energetically stable than Z’ = 2 structures, primarily due to stronger intermolecular interactions. Read more: ccdc-info.com/4x5EQn8 #CrystalStructures #ChemSky

The crystal structure of hexafluorothioacetone has been reported in @angewandtechemie.bsky.social. The compound is a blue gas at room temperature and is prone to dimerisation, making crystallography challenging! 🔗 CSD Entry LARLEA: dx.doi.org/10.5517/ccdc.... #FeaturedStructureFriday #ChemSky

Cambridge Structural Database (CSD) Updates Contribution from Ana Rita Machado, Marketing Executive at @ccdc.cam.ac.uk 👉 www.rsccicag.org/index_htm_fi...

Today's Collaborator Spotlight is on @ccdc.cam.ac.uk ⚡ ⭐️ The Cambridge Structural Database is part of the PSDI Subscribed Resources & Data Sources for PSDI Cross Data Search resource themes. You can access it here 👉 t.ly/qOJrY

Last night we took full advantage of the beautiful weather and played our annual CCDC cricket match. This year we played the @rsc.org at Churchill College, University of Cambridge. A thoroughly enjoyable evening - onwards and upwards to next year!

CSD-CrossMiner helps you to explore new scaffold possibilities without losing sight of key interactions, so you can accelerate progress and sidestep the frustration of weaker hits. 👉 Dive into the details in this free white paper: ccdc-info.com/4xnI0na #DrugDiscovery #CompChemSky

The first sulfur-centered conjunctive coupling of vinyl boronates is reported in @chemicalscience.rsc.org. CSD Entry SAPTIR confirms installation of a C-S bond, CF₃ group and Bpin handle in a single organoboron scaffold. 🔗 dx.doi.org/10.5517/ccdc... #FeaturedStructureFriday #CompChemSky

📣Last chance to register! Hear from two educators who will share how they use the CSD portfolio to engage students at every stage, from high school to PhD researchers. 🎥 👉 Register now: ccdc-info.com/4yoqnE4 #Crystallography #ChemistryEducation #iTeachChem

Reporting in @crystengcomm.rsc.org, Olga Yu. Vassilyeva and team have developed a versatile synthetic route to hydroxyl‑functionalized 1,2,4‑triazole oligomers (mono‑, bis-, and tris‑systems) and explored their potential as uranyl chelators. 🔗 ccdc-info.com/4fJH7yX #ChemSky

We are pleased to be a data partner in CuspAI's AI Materials Foundries initiative. 🤝 High-quality scientific data is essential for the effective application of AI in materials research.

The Guardian@theguardian.com · 2w ago

Jeff Bezos and UK government invest in £2bn British startup CuspAI

From @reisnerlab.bsky.social, a single-source Co-Zr precursor for scalable photocatalyst films @natchemeng.nature.com. The fabricated PC uses sunlight to convert biomass and plastic waste into H₂ and value-added chemicals. 🔗 CSD Entry SIXJIS01: dx.doi.org/10.5517/ccdc... #FeaturedStructureFriday

A big thank you to all our sponsored PhD students who joined us for this year's Science Day meeting and shared their research with the CCDC community. 🙌 It was fantastic to hear about the progress made and to welcome new students to the programme: ccdc-info.com/4fiFhTG #PhDResearch #ScienceDay

Join thousands of scientists and educators worldwide who are shaping the future of structural science. Our monthly newsletter curates the latest updates, research news, and upcoming expert webinars and conferences—so you never miss what matters. Sign up here: ccdc-info.com/4sZwJXU #ChemSky

Break free from limited hits and discover what’s really possible. With CSD-CrossMiner, you can identify novel scaffold alternatives that preserve key interactions, helping you move forward faster. 👉 Learn more in the white paper: ccdc-info.com/4uylsNY #DrugDiscovery #CompChemSky

A concise and scalable strategy for the synthesis of bridgehead-substituted [2]-ladderanes has been reported in @natchem.nature.com. 👉These ladderanes are versatile building blocks for strain-release cycloadditions. 🔗 CSD Entry GANLIV: dx.doi.org/10.5517/ccdc.... #FeaturedStructureFriday #ChemSky

New @iucrjournals.bsky.social publication highlights how many crystal structures remain unpublished and shows how simple database deposition can bring them into the public domain, improving research visibility, reducing duplication, and supporting #OpenScience. 🔗 journals.iucr.org/c/issues/202...

🙌We’re excited to sponsor the International AIC School 2026: a four-day event for PhD students and early-career researchers in crystallography. 🔗 ccdc-info.com/4gb8vpE #Crystallography #EarlyCareerResearchers #ScientificCommunity

🍫 Celebrate #WorldChocolateDay with us! 🍫 Discover the chemistry of chocolate and investigate why chocolate can lose its snap in this video. 🔗 www.youtube.com/watch?v=N-lH... #STEM #ChemSky #iTeachChem

Unlock new lead opportunities without the guesswork. CSD-CrossMiner empowers you to explore novel scaffold space while preserving crucial binding interactions so you can move forward faster, without the frustration of weaker hits slowing you down. 👉 ccdc-info.com/49UbizP #DrugDiscovery #ChemSky

From @jacs.acspublications.org, borepin synthesis via borylene insertion into arenes. The reaction proceeds via ring expansion of benzene species mediated by an inverse-sandwich thorium complex. 🔗 CSD Entry XALFAW (1-phenylborepin complex): dx.doi.org/10.5517/ccdc... #FeaturedStructureFriday

At the CCDC, our strength comes from our community 🙌 From the researchers who contribute to the CSD to the Trustees who guide our direction, this blog celebrates the people behind our work, along with a warm thank you to Alessia Bacchi for eight years of service. 👉 ccdc-info.com/4vM331E

Meet the CCDC team at the 3rd Workshop on Benchmarking Solid State Properties, part of the BEST-CSP COST Action. This two-day workshop explores the latest in crystal structure prediction and aims to spark new collaborations. 🔗 ccdc-info.com/4fw5e49 #Crystallography #CrystalStructures #ChemSky

📣 An insightful new study in spin-crossover materials! This work highlights new possibilities for designing switchable molecular materials for electronics, photonics, and sensing. 🔗 ccdc-info.com/445FmVH #FunctionalMaterials #ChemSky

😍A memorable snapshot from our final session of the UNESCO‑CCDC Remote Training on Crystallography Software! It was fantastic to see such hard work, commitment, and dedication throughout the four sessions over the past two weeks. Congratulations to everyone 👏 #CompChemSky

🧪🔬 Accessible, beginner-friendly dry-lab exercises introduce #undergraduates to crystallographic databases @ccdc.cam.ac.uk and small-molecule structure analysis! 📚✨ doi.org/10.1107/S205... @actacryste.iucr.org #Crystallography #Undergraduate #ChemEd #Education

Accessible introductory exercises to crystallography databases and basic practices for undergraduate students

The description and commentary for a set of simple exercises intended for undergraduate learners. These exercises introduce some basic practices for handling and reporting crystallographic data of sma...

doi.org

Our latest study, in collaboration with Dassault Systèmes Biovia, showcases a hybrid structure-based + generative AI workflow, combining GOLD docking with BIOVIA Generative Therapeutic Design (GTD) to design and optimise novel DprE1 inhibitors. 🔬 ccdc-info.com/4w82NcX #DrugDiscovery #CompChemSky

Developed by Arvinas and Pfizer, vepdegestrant (ARV-471) (🔎http://dx.doi.org/10.1021/acs.oprd.4c00362). Marketed as Veppanu, it is the 1st FDA-approved PROTAC protein degrader for treatment of breast cancers. 🔗 CSD Entry CUSXAT: dx.doi.org/10.5517/ccdc... #FeaturedStructureFriday #CompChemSky

📣Want to make crystal structures and symmetry engaging for your students? Join our webinar to discover how the Cambridge Structural Database (CSD) can help students visualise and explore chemistry in a more interactive way. 🔗 ccdc-info.com/4oLKJD3 #ChemistryEducation #Crystallography #iTeachChem

🙌Congratulations to Katarina Lucija Lakota from the University of Ljubljana on receiving the CCDC Prize for Best Presentation at the 32nd Croatian–Slovenian Crystallographic Meeting. We wish you every success in your future research. #ScientificCommunity #EarlyCareerResearchers #Crystallography

Join us at the 9th Machine Learning and AI in (Bio)Chemical Engineering Conference hosted by the Innovation Centre in Digital Molecular Technologies (iDMT). We're excited to meet developers and advanced users applying #AI and #ML in #Chemistry and #BiochemicalEngineering. 🔗 www.mabc-cambridge.ai