Evidence map›Paper›PMID 36941396›Full record

ArticleNature chemistry2023

Structural resolution of a small organic molecule by serial X-ray free-electron laser and electron crystallography.

Kiyofumi Takaba, Saori Maki-Yonekura, Ichiro Inoue, Kensuke Tono, Tasuku Hamaguchi, Keisuke Kawakami, Hisashi Naitow, Tetsuya Ishikawa, Makina Yabashi, Koji Yonekura

Erratum issuedAbstract read
In one paragraph

Article in Nature chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 21 papers.

0numbers the graph read from it
0cells of the map it votes in
21citing 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

21 citing papers in PubMed.

  1. Capturing irreversible photoswitching inChemical communications (Cambridge, England) · 2026
    Article
  2. Article
  3. Article
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  6. Article
  7. Article
  8. Article
  9. Review
  10. Machine learning for the classification of serial electron diffraction patterns: synthetic data.Acta crystallographica. Section A, Foundations and advances · 2025
    Article
  11. Article
  12. Review
  13. Article
  14. Convergent-beam attosecond x-ray crystallography.Structural dynamics (Melville, N.Y.) · 2025
    Article
  15. Article
  16. Article
  17. Article
  18. Reaching the potential of electron diffraction.Cell reports. Physical science · 2024
    Article
  19. 3D Nanocrystallography and the Imperfect Molecular Lattice.Annual review of physical chemistry · 2024
    Review
  20. Review
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

10 authors.

Kiyofumi Takaba *RIKEN SPring-8 Center, Sayo, Hyogo, Japan.ORCID http://orcid.org/0000-0002-2927-0608
Saori Maki-Yonekura *RIKEN SPring-8 Center, Sayo, Hyogo, Japan.ORCID http://orcid.org/0000-0002-8295-8794
Ichiro InoueRIKEN SPring-8 Center, Sayo, Hyogo, Japan.
Kensuke TonoRIKEN SPring-8 Center, Sayo, Hyogo, Japan.ORCID http://orcid.org/0000-0003-1218-3759
Tasuku HamaguchiRIKEN SPring-8 Center, Sayo, Hyogo, Japan.ORCID http://orcid.org/0000-0003-0876-7700
Keisuke KawakamiRIKEN SPring-8 Center, Sayo, Hyogo, Japan.ORCID http://orcid.org/0000-0002-1689-1819
Hisashi NaitowRIKEN SPring-8 Center, Sayo, Hyogo, Japan.ORCID http://orcid.org/0000-0001-7567-231X
Tetsuya IshikawaRIKEN SPring-8 Center, Sayo, Hyogo, Japan.
Makina YabashiRIKEN SPring-8 Center, Sayo, Hyogo, Japan.ORCID http://orcid.org/0000-0002-2472-1684
Koji YonekuraRIKEN SPring-8 Center, Sayo, Hyogo, Japan. yone@spring8.or.jp.ORCID http://orcid.org/0000-0001-5520-4391

Funding

MEXT | Japan Science and Technology Agency (JST) JPMJMI20G5MEXT | Japan Society for the Promotion of Science (JSPS) 20K15764MEXT | JST | Core Research for Evolutional Science and Technology (CREST) JPMJCR18J2
6 · The paper itself

Abstract

Structure analysis of small crystals is important in areas ranging from synthetic organic chemistry to pharmaceutical and material sciences, as many compounds do not yield large crystals. Here we present the detailed characterization of the structure of an organic molecule, rhodamine-6G, determined at a resolution of 0.82 Å by an X-ray free-electron laser (XFEL). Direct comparison of this structure with that obtained by electron crystallography from the same sample batch of microcrystals shows that both methods can accurately distinguish the position of some of the hydrogen atoms, depending on the type of chemical bond in which they are involved. Variations in the distances measured by XFEL and electron diffraction reflect the expected differences in X-ray and electron scatterings. The reliability for atomic coordinates was found to be better with XFEL, but the electron beam showed a higher sensitivity to charges.

Identifiers

PMID36941396
PMCPMC10719108

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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.