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2 article(s) from Coles, Simon J

Data accessibility in the chemical sciences: an analysis of recent practice in organic chemistry journals

Sally Bloodworth,
Cerys Willoughby and
Simon J. Coles

Beilstein J. Org. Chem. 2025, 21, 864–876, doi:10.3762/bjoc.21.70

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Graphical Abstract

Figure 1: Journal data policies for the study timeframe, 01 February – 31 March 2023. ‘All data’ refers to: s...

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Figure 2: Data types and counts. ¹’Other’ combines articles with 0 (0.4%), 1 (3.3%) or 10 (0.4%) types of dat...

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Figure 3: Primary data sharing. ¹Only two papers shared >1 type of primary data. ‘OTHER’ combines articles sh...

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Figure 4: File formats supplied as SI (excluding PDF and Word DOC). ‘OTHER’ combines articles sharing (one of...

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Figure 5: Repository deposition. ¹’OTHER’ combines Github (1.3%), institutional repositories (1.3%) and Zenod...

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Figure 6: Compliance of shared data with FAIR principles. FAIR variable codes with the form ‘Name_integer’ ar...

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Figure 7: Proportions of articles that a) meet and b) exceed, publisher data requirements.

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Full Research Paper

Published 02 May 2025

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Redox-active tetrathiafulvalene and dithiolene compounds derived from allylic 1,4-diol rearrangement products of disubstituted 1,3-dithiole derivatives

Filipe Vilela,
Peter J. Skabara,
Christopher R. Mason,
Thomas D. J. Westgate,
Asun Luquin,
Simon J. Coles and
Michael B. Hursthouse

Beilstein J. Org. Chem. 2010, 6, 1002–1014, doi:10.3762/bjoc.6.113

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Figure 1: Chemical structures of compounds 1–3.

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Scheme 1: Acid-catalysed behaviour of 4,5-bis(2-arylhydroxymethyl)-1,3-dithiole-2-thiones 2.

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Scheme 2: The proposed mechanism for the formation of 3.

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Scheme 3: The proposed mechanism for the decomposition of 13 in the presence of perchloric acid.

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Figure 2: Generalised structure of diol 17.

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Scheme 4: Reagents and conditions: (i) LDA (1 equiv), 2,4-dimethoxybenzaldehyde (1 equiv), then repeat, −78 °...

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Scheme 5: Reagents and conditions: (i) ethylenediamine, AcOH, MeOH; (ii) P(OEt)₃, 120 °C, 3 h.

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Figure 3: Molecular structure and numbering scheme of compound 22 with Hs omitted.

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Scheme 6: Reagents and conditions: (i) P(OEt)₃, reflux; (ii) Hg(OAc)₂, CH₂Cl₂/AcOH; (iii) NaOEt, THF, reflux,...

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Figure 4: Molecular structure of 28 with the tetrabutylammonium cation omitted.

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Figure 5: Packing diagram of 28 identifying close intermolecular contacts.

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Figure 6: UV–visible spectra of 3, 25, 27 and 28 in CH₂Cl₂ solution.

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Figure 7: Cyclic voltammograms of compounds 3, 25, 27, and 28. Glassy carbon working electrode, using Pt wire...

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Published 21 Oct 2010

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