Evidence map›Paper›PMID 41427749›Full record

ArticleIUCrJ2026

Crystal structure of diacetylene unveiled by X-ray and neutron diffraction, Raman spectroscopy and periodic DFT.

Larissa Lopes Cavalcante, Helen E Maynard-Casely, Morgan L Cable, Samuel G Duyker, Edith C Fayolle, Robert Hodyss, Brendan J Kennedy, Tuan H Vu, Courtney Ennis

Abstract read
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In one paragraph

Article in IUCrJ, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Larissa Lopes CavalcanteDepartment of Chemistry, University of Otago, Dunedin 9054, New Zealand.ORCID 0000-0002-4047-7220
Helen E Maynard-CaselyAustralian Centre for Neutron Scattering, ANSTO, Kirrawee, NSW 2232, Australia.ORCID 0000-0001-6364-9665
Morgan L CableJet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.ORCID 0000-0002-3680-302X
Samuel G DuykerSydney Analytical, Core Research Facilities, University of Sydney, NSW 2006, Australia.
Edith C FayolleJet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.
Robert HodyssJet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.
Brendan J KennedySchool of Chemistry, University of Sydney, Sydney, NSW 2006, Australia.ORCID 0000-0002-7187-4579
Tuan H VuJet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA.ORCID 0000-0001-6839-9765
Courtney EnnisDepartment of Chemistry, University of Otago, Dunedin 9054, New Zealand.ORCID 0000-0003-1774-8982

Funding

Marsden Fund Council, Royal Society Te Apārangi (New Zealand) 21-UOO-123
6 · The paper itself

Abstract

Combining powder X-ray and neutron diffraction, the first crystallographic characterization of diacetylene (IUPAC designation 1,3-butadiyne) is presented and supplemented by Raman spectroscopy and periodic-DFT calculations. The structure is described in the space group Pnma, with a = 9.348 (2), b = 5.9890 (6), c = 5.6746 (11) Å and V = 317.69 (6) Å

Indexed as

crystallization under non-ambient conditionsdensity functional theoryDragonfly missionintermolecular interactionsmaterials sciencemolecular crystalsproperties of solids

Identifiers

PMID41427749
PMCPMC12809449

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.