CCDC Cambridge
LightNews LightNews
banner
ccdc.cam.ac.uk
CCDC Cambridge
@ccdc.cam.ac.uk
1.5K followers 74 following 410 posts
The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.

Website: https://www.ccdc.cam.ac.uk/
Posts Replies Media Videos
ccdc.cam.ac.uk
Don’t miss this week's webinar, which explores a data‑driven approach to boosting productivity and model development, using the CCDC web platform to enable collaboration while protecting proprietary data.

🔗 ccdc-info.com/3NTBulQ

#Pharma #MedicinesManufacturing #CompChemSky
Promotional graphic with a laptop showing the Lattice web platform homepage on screen.
February 10, 2026 at 3:59 PM
ccdc.cam.ac.uk
Our software helps researchers and educators worldwide advance structural science every day.

Sectors we serve:

✔️ #Pharmaceutical
➡️ #Biotech
👍 #Agrochemical
🔎 #AcademicResearch
⚛️ #Crystallography
💪 #FunctionalMaterials
🔬 #Education

🔗Learn more ccdc-info.com/4rvSFsk
Promotional graphic with a world map and spots representing the places where CCDC data, software and services are used.
February 10, 2026 at 11:27 AM
ccdc.cam.ac.uk
As a @sapiosciences.bsky.social Technology Partner, we are excited to attend #SapioCon2026 and connect with global #DrugDiscovery scientists.

Our talk on the protein-ligand docking tool GOLD will be in the ‘Interactive Workshop Sapio Science ELaiN Eco System’ on Feb 19th.

🔗 ccdc-info.com/45TqjQl
Promotional graphic with a photo of the speaker.
February 9, 2026 at 1:13 PM
ccdc.cam.ac.uk
For over 60 years, we have been the backbone of materials and life sciences research.

We provide:

⚛️Curated Data: A trusted global repository of organic and metal-organic structures.
🔬Advanced Software
🔎Educational Support

How has the CSD impacted your research?🗨️

#CompChemSky
Promotional graphic with a ball and stick representation of a crystal structure from the Cambridge Structural Database.
February 6, 2026 at 7:47 PM
ccdc.cam.ac.uk
A series of tetracopper disulfide clusters that mimic the mixed-valent sites found in enzymes like N₂O reductase is reported by Tilley et al. @jacs.acspublications.org.

CSD Entry UXAVAU reveals a symmetrical arrangement of two bimetallic units.

🔗 ccdc-info.com/46mDZmY

#FeaturedStructureFriday
February 6, 2026 at 12:36 PM
ccdc.cam.ac.uk
In this new video, you can learn how to:

💪Compare Powder X-ray Diffraction patterns in Mercury.
🔎Load a reference pattern and identify potential structure matches visually and by the similarity score.
✔️Optimize the simulated PXRD pattern to fit the reference data.

🔗 ccdc-info.com/4t75LxE
How to: Match and Optimise PXRD Patterns in Mercury
Enjoy the videos and music you love, upload original content, and share it all with friends, family, and the world on YouTube.
ccdc-info.com
February 5, 2026 at 5:31 PM
ccdc.cam.ac.uk
📢 Don’t miss the IUCr2026, LLC abstract deadline on 15 February!

Then join our training team for Workshop 13 – Mastering the CSD: Search, Visualise and Analyse with Confidence on 11 August.

🔗 ccdc-info.com/4qUpS0o

We can’t wait to meet you there!

#Collaboration #Crystallography #IUCr2026
Promotional graphic with a laptop screen showing CCDC tools and a photo of a workshop room.
February 5, 2026 at 2:39 PM
ccdc.cam.ac.uk
Reported in @natchem.nature.com, the use of cubene and 1,7-quadricyclene in synthesis.

By exploiting hyperpyramidalized, strained bonds, the Garg group builds unique scaffolds like this one elucidated by MicroED electron diffraction.

CSD Entry EXEZEQ: ccdc-info.com/4c1Z1Lj
#FeaturedStructureFriday
January 30, 2026 at 4:07 PM
ccdc.cam.ac.uk
⚡Join us for a Flash Training session on using Mercury to visualize and analyse metal–organic frameworks (MOFs). It will be streamed live on YouTube and will be less than 25 minutes in length.

You can register ahead or simply join the live stream on YouTube on the day.

🔗 ccdc-info.com/4q4HBBa
Promotional graphic with a laptop featuring the Mercury platform on screen showing a MOF structure.
January 29, 2026 at 1:19 PM
ccdc.cam.ac.uk
By analysing tetraphenyl adamantane structures in the CSD, S. Maeda et al. from Toho University, identified clear design rules for forming a unique one‑dimensional “saddle‑stacking” arrangement with continuous empty channels.

🔗 ccdc-info.com/4r9iaj0

#Crystallography #CompChemSky
Promotional graphic with ball and stick chemical representations in the background.
January 23, 2026 at 4:24 PM
ccdc.cam.ac.uk
Expanded boraporphyrinoids with redox switchable magnetic (anti)aromaticity and strong near-infrared absorption have been reported in @jacs.acspublications.org.

Antiaromatic CSD Entry IWANUT becomes aromatic upon twofold reduction.

🔗 dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday #ChemSky
January 23, 2026 at 4:15 PM
ccdc.cam.ac.uk
⌛Last chance to register for our upcoming webinar!

Discover new ways to analyse structures and predict interactions. Join us today at 16:00 (GMT) / 11:00 (EST).

Register here: register.gotowebinar.com/register/490...

#Pharma #Crystallography #CompChemSky
Promotional graphic with an image of someone using a laptop.
January 22, 2026 at 1:43 PM
Reposted by CCDC Cambridge
crystallography.org.uk
If you haven't yet submitted an abstract to the BCA Spring Meeting (Leeds, 30th March - 1st April), don't worry - the deadline has just been extended until the 28th January!

tinyurl.com/BCASpring2026
BCA 2026
tinyurl.com
January 21, 2026 at 9:11 AM
ccdc.cam.ac.uk
📢New video!
Watch to find out how to:

💪Compare Powder X-ray Diffraction patterns.
🔎Load a reference pattern and identify potential structure matches visually, and by the similarity score.
✔️Optimize the simulated PXRD pattern to fit the reference data.

🔗 ccdc-info.com/4r0nrci

#CompChemSky
Promotional graphic with a computer screen showing a graph of PXRD results.
January 20, 2026 at 12:14 PM
Reposted by CCDC Cambridge
standrewsxray.bsky.social
Nominations are open for this year's BCA-CCG @ccdc.cam.ac.uk Chemical Crystallography Prize for Younger Scientists. They close at the end of the month!
For more information, see ccg-bca.github.io/ccgprize/
Please spread the word! @escg-bca.bsky.social @crystallography.org.uk
January 19, 2026 at 6:16 PM
ccdc.cam.ac.uk
A new nonalternant buckybowl embeds an azulene unit into a curved π-system with a rare 5/7 ring topology. Reported in Chemistry - a European Journal.

CSD Entry ISEWUC reveals a shallow, dynamic bowl with unique packing and strong fullerene affinity.
🔗 ccdc-info.com/4pI6aUs
#FeaturedStructureFriday
January 16, 2026 at 1:55 PM
ccdc.cam.ac.uk
Changes in temp, pressure, or composition—especially via compositional polymorphism in solid solutions—can shift thermodynamic landscapes & make metastable forms the most stable.

T–X phase diagrams in Cryst. Growth Des. show how composition reshapes polymorphic stability 👉 ccdc-info.com/45lrxU2
Compositional Polymorphism through Crystalline Solid Solutions and Its Interpretation for Thermodynamic Stability
The thermodynamic stability of polymorphs of a molecular compound can vary with changes in temperature, pressure and composition. Compositional polymorphism occurs when a polymorphic compound incorpor...
ccdc-info.com
January 15, 2026 at 3:49 PM
ccdc.cam.ac.uk
📣Explore how federated learning and secure data sharing can improve pharma manufacturing efficiency.

👉A data-driven approach to boosting productivity & model development, using the CCDC web platform to enable collaboration while protecting proprietary data.

🔗Sign up: ccdc-info.com/49TjEYy
#ChemSky
Promotional graphic with an image showing a laptop with the Lattice Home screen.
January 14, 2026 at 4:17 PM
ccdc.cam.ac.uk
The paper compares calculated lattice energies with experimental sublimation enthalpies across different classes of compounds to give recommendations for different force field applications.

📽️You can also watch this work being presented in a recent webinar: ccdc-info.com/49xNwbI
Webinar: Using General Purpose Force Fields in Solid Form Studies | CCDC
An overview and demonstration of new functionality for optimising crystal structures using general p
ccdc-info.com
January 13, 2026 at 5:13 PM
ccdc.cam.ac.uk
Just published in Structural Chemistry, CCDC scientists have benchmarked general-purpose force fields that have been recently implemented in CCDC software suites.

🔗 ccdc-info.com/4aXuvBW

#Chemistry #Crystallography
Promotional graphic with a publication figure of the overlay of unoptimised (white) and optimised (red) molecules for DATNBZ01 (left) and LEZJAB01 (right), showing the rotation of nitro groups and the loss of intramolecular hydrogen bonds, respectively, when the molecular geometry is optimised.
January 13, 2026 at 5:09 PM
Reposted by CCDC Cambridge
rsc-cicag.bsky.social
The new issue of Distillate is out now! Read it here: www.rsccicag.org/index_htm_fi...
January 8, 2026 at 12:42 PM
ccdc.cam.ac.uk
Reported in @chemicalscience.rsc.org ultrastiff crystals of mucic acid.

Inspired by previous reports of high density, this work reveals a high Young’s modulus and hardness due to the extensive hydrogen bonding network.

🔗 CSD Entry BIVTUV02: dx.doi.org/10.5517/ccdc...

#FeaturedStructureFriday
January 9, 2026 at 2:43 PM
ccdc.cam.ac.uk
This study benchmarks how well current computational methods predict different polymorphs of the drug sulfamerazine, highlighting why closely related polymorphs are especially hard to model, and how predictions can be improved.✔️

🔗 ccdc-info.com/4slabke

#CrystalStructures #CSP
Promotional graphic with the abstract schematic of the BEST-CSP study.
January 7, 2026 at 1:38 PM
ccdc.cam.ac.uk
📣Join this webinar to learn about three scripts first developed within the Crystal Form Consortium (CFC):

✔️High Z′ Hydrogen Bond Propensity
✔️Interaction Analysis
✔️Void Network

Register now: ccdc-info.com/3MUAEVw

#ParticleInformatics #Pharmaceuticals #CrystalEngineering
Promotional graphic with an image of someone using a laptop.
January 6, 2026 at 10:57 AM
ccdc.cam.ac.uk
Happy New Year! Did you celebrate with fireworks? Our first #FeaturedStructureFriday of the year is potassium hydrogen terephthalate, an additive used in fireworks to create a whistling effect.

www.ccdc.cam.ac.uk/services/str....
January 2, 2026 at 2:36 PM