We have new instruments! Installed last week, a pair of Rigaku XTALab Synergy-S diffractometers. Looking forward to see how they handle our crystals! Thanks to the @rigakuoxfordxrd.bsky.social installation team and @ukri.org and @uniofstandrews.bsky.social for funding. @standrewschem.bsky.social

What has been behind out recent lack of posting...? As well as summer holidays, we have been having a lot of work done in the crystallography labs. We have been transforming - from this

Another recent acceptance with the @ezc-group.bsky.social. The service determined the structures of three of the emitters being investigated.

Slightly belated details of another publication with the Aitken group, containing the structures of four previously unknown heterocyclic sulfones, published in Crystals: doi.org/10.3390/crys.... @standrewschem.bsky.social

We were over in Glasgow last week to run some samples on their electron diffractometer. Bit of a learning curve on the electron microscopy elements, but some promising initial data from some of the samples. Now planning our next trip! @forganross.bsky.social @standrewschem.bsky.social

A recently accepted paper with @chemdudebrian.bsky.social and @iainsmellie.bsky.social in Reactions (doi.org/10.3390/reac...). It contains the structure of 1,2,4-triphenyltriphenylene; part of an investigation of alternative solvents for Diels–Alder/cheletropic reaction sequences. @StAndrewsChem

The IUCr is again running its crystal growing competition for younger scientists. If you know school-aged children who might be interested, there is background information and details of the competition available at www.iucr.org/outreach/cry....

Another recently accepted paper with the EZC group. The service determined the structure of the MR-TADF emitter being investigated.

The latest published paper in our ongoing collaboration with the Saha group at the University of Kalyani, in the Journal of Molecular Structure, doi.org/10.1016/j.mo..., the paper contains the structure of a dinculear complex determined by the service. @standrewschem.bsky.social

A recently accepted paper with @chemdudebrian.bsky.social and @iainsmellie.bsky.social in Molbank - doi.org/10.3390/M2007. It contains the structure of 3′H-spiro[dibenzo[c,h]xanthene-7,1′-isobenzofuran]-3′-one, first isolated in 1871 and identified in 1920. @StAndrewsChem

For early-career crystallographers, the IUCr awards the Struchkov Prize (iucr.org/iucr/struchk...) every three years. Applications are now open, the prize will be presented at @iucr2026.bsky.social

A recently published paper with the Payne and Ohadi groups in @natcomms.nature.com. The service worked to provide structures for six 2D layered hybrid perovskites with intercalating halogens. @StAndrewsChem

A recently accepted paper with the @finmorr.bsky.social group in Inorg Chem (doi.org/10.1021/acs....). The service worked to provide structures for seven hybrid-perovskite (2D and 0D motifs) and related materials (1D motifs) across three temperatures. @standrewschem.bsky.social

A recently accepted publication from the Westwood group in the forthcoming @faradaydiscussions.rsc.org meeting on Physical Chemistry for Lignin Valorisation (doi.org/10.1039/D5FD...). The service determined the structure of one lignin model compound. @standrewschem.bsky.social

Our latest publication with the Armstrong group, investigating a new Na-MOF material for use in Na-ion batteries. The struture of the MOF was determined by electron diffraction with the National Crystallography service.

Our first accepted publication with the GossGroup in quite a while, published in MDPI Biomolecules (doi.org/10.3390/biom...) - congratulations to everyone. The service determined the structures of two of the compounds prepared. @standrewschem.bsky.social

A recently accepted paper with the EZC group. The service determined the structures of the two emitters being investigated. @standrewschem.bsky.social

New, searchable fields have been added to existing CSD entries, adding scientific value and analytical potential. This enrichment allows researchers to interact with structures in entirely new ways. 👀 ccdc-info.com/3HotDJD #Crystallography #CompChemSky

A recently accepted paper with @chemdudebrian.bsky.social published in Molbank (doi.org/10.3390/M2013). It contains the previously unknown structure of diisopropyl (E)-(1-hydroxy-3-phenylallyl)phosphonate. @standrewschem.bsky.social

A recent acceptance in @angewandtechemie.bsky.social with the ADS group (doi.org/10.1002/anie...) - congrats to all involved. The service determied the absolute structure of one of the planar-chiral paracyclophanol derivatives, prepared by dynamic kinetic resolution. @standrewschem.bsky.social

Another recently accepted paper with @chemdudebrian.bsky.social and @iainsmellie.bsky.social, containing the previously unknown structure of 2′,7′-dimethyl-3H-spiro[isobenzofuran-1,9′-xanthen]-3-one (first synthesised in 1907), published in Molbank: doi.org/10.3390/M2007. @standrewschem.bsky.social

Another recent acceptance with the EZC group, in Advanced Science. The service determined the structures of the five emitters being investigated.

Another recent acceptance in @chemicalscience.rsc.org with the ADS group (doi.org/10.1039/D5SC...), congrats to @aligoodfellow.bsky.social and everyone else involved. The service determined the structures and absolute configurations of three compounds. @standrewschem.bsky.social

Our latest accepted paper with collaborators at the Universiti Teknologi MARA, Malaysia, formerly @standrewschem.bsky.social. Published in @iucrdata.iucr.org (doi.org/10.1107/S241...), the paper contains a single structure.

A paper accepted late last week from the Clarke group @standrewschem.bsky.social in Chem Eur J @chemistryeurope.bsky.social (doi.org/10.1002/chem...). The service determined the structure of Pt(II) complexes of two of the catalytically relevant ligands being investigated.

Another recent acceptance with the EZC group (doi.org/10.1002/adfm...). The service determined the structures of two of the emitters being investigated.

Slightly belatedly, a recent acceptance in @chemicalscience.rsc.org with the ADS group (doi.org/10.1039/d5sc...). The service determined the structures and absolute configurations of three compounds. @standrewschem.bsky.social

Congratulations to our collaborators in the Haugland group, including @sowinskimat.bsky.social, as well as @spinlovett.bsky.social and her group for their work on the recently accepted paper in @chemcomm.rsc.org: doi.org/10.1039/D5CC.... The paper contains one structure we determined. @StAndrewsChem

Our first paper of 2025 with the Aitken group, containing the previously unknown structure of (E,E)-1,5-diethoxy-1,5-diphenylpenta-1,4-dien-3-one , published in Molbank: doi.org/10.3390/M1986. @standrewschem.bsky.social

Our first collaborative paper of 2025 with the Ayoup group at King Faisal University, has been accepted in Inorganica Chimica Acta (doi.org/10.1016/j.ic...). The service determined the structures of the three complexes. @standrewschem.bsky.social

In honour of #InternationalWomensDay, a little about a woman who helped make the Crystallography Service what it is - Emeritus Professor Alex Slawin. She developed the Service as Professor of Chemical Crystallography, and published over 4200 structures during her career.

Another recently accepted paper, this time from the ADS group, published in @angewandtechemie.bsky.social (doi.org/10.1002/anie...). Congrats to Martha and everyone else involved. The paper contains three structures from the service, two with absolute configuration. @standrewschem.bsky.social

A recently accepted paper in @ACS_AMI from work with our collaborators in the Abazari group at the University of Maragheh doi.org/10.1021/acsa.... The structure of the MOF under investigation for its NLO properties was determined by the service. @StAndrewsChem

Our latest publication with the EZ-C group. We determined the structure of one compound for the paper, with data collected on the single crystal beamline I-19 at @diamondlightsource.bsky.social

A reminder that nominations are open (until 10th March) for this years BCA-CCG and @ccdc.cam.ac.uk Chemical Crystallography Prize for Younger Scientists ccg.crystallography.org.uk/young-crysta... If you've been doing cool crystallography and fit the eligibility criteria, consider getting nominated!

Several prizes for crystallographic research are available from the European Crystallographic Association. Four of these are currently open for nominations: Max Perutz Prize, Sheldrick Prize, Erwin Félix Lewy Bertaut Prize, and Alajos Kálmán Prize. Details available at ecanews.org/prizes/

A giant of modern crystallography has passed. George Sheldrick was the author of the SHELX series of programs (among others) for structure solution and refinement of both small-molecule and macromolecular crystal structures. www.chemistryworld.com/opinion/shel...

Nomination form and details now available for this.

#InternationalDayofWomenandGirlsinScience If you are a woman working in crystallography, at an early career stage, you may be interested in the European Crystallographic Association's Women in Crystallography grants (ecanews.org/financial-su...) supporting conference attendance.

#InternationalDayofWomenandGirlsinScience To celebrate, why not have a look at the European Crystallographic Association's Women in Crystallography video series (youtube.com/playlist?lis...), highlighting some of the experiences, challenges and successes of women in crystallography worldwide.

If you are thinking of presenting at the British Crystallographic Association's Spring Meeting (tinyurl.com/bca2025), note that abstract submission closes next Monday.

An accepted paper with the Stasch group in JACS @pubs.acs.org (doi.org/10.1021/jacs...). The paper contains 19 structures from data collected over the last four and a half years, looking at the reversible activation of hydrogen by molecular magnesium oxide complexes. @st-andrewschem.bsky.social

Another recently accepted paper with @chemdudebrian.bsky.social and @iainsmellie.bsky.social, containing the previously unknown structure of 1-(2,3,5,6-tetramethylphenyl)ethan-1-one (acetyldurene, first synthesised in 1931), published in Molbank: doi.org/10.3390/M1961. @st-andrewschem.bsky.social

Our first paper with the EZ-C group for 2025 (doi.org/10.1039/D4TC...). We determined the structures of the three quinoxaline-based TADF emitters described.

Another newly accepted paper in Inorganics from work in the Stasch group developing a NHC with new backbone substitution and exploring its chemistry (doi.org/10.3390/inor...). This contains 15 structures collected by the service over the last three years. @st-andrewschem.bsky.social

Our first paper accepted in 2025, published in Molbank (doi.org/10.3390/M1952). Congrats to @chemdudebrian.bsky.social and @iainsmellie.bsky.social. The paper contains one structure, related to the one in a previous joint publication (doi.org/10.3390/M1862). @standrewschem.bsky.social

For those of you new to us, who are we...? The service is run by Dr David Cordes (www.st-andrews.ac.uk/chemistry/pe...) with the assistance of Dr Aidan McKay. Information about the service can be found at www.st-andrews.ac.uk/chemistry/re... @st-andrewschem.bsky.social

The single-crystal X-ray diffraction service @st-andrewschem.bsky.social runs four @rigakuoxfordxrd.bsky.social diffractometers to provide a structure determination service to the School of Chemistry, the University and our collaborators.

This account is for the single crystal X-ray diffraction service at the University of St Andrews @st-andrewschem.bsky.social. It primarily consists of publications including structure data from the service, but also other crystallography-related news. For now it is mirroring StAndrewsXRay on X.