How the RSC Deals with Crystallographic Data During Peer Review

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How the RSC Deals with Crystallographic Data During Peer Review

Data and Data Science at the Royal Society of Chemistry Rita Giordano, Colin Batchelor, John Boyle. Data Science, Royal Society of Chemistry [email protected] How the RSC deals with crystallographic data during peer review Deposition The reviewer can access the crystallographic structure in the CCDC database. Validation Peer Review Volume 10 Number 30 14 August 2019 Pages 7123–7300 Chemical Science Paperrsc.li/chemical-science accepted A�er the paper is accepted, the CIF Paper submission can also be made available in ChemSpider. ISSN 2041-6539 EDGE ARTICLE Janusz Lewiński et al. Mechanochemical and slow-chemistry radical transformations: a case of diorganozinc compounds and TEMPO RSC journals and crystallography R-factor The majority of structures in RSC journals have Journals with most structures in the CSD. CIF files per journal. This value is normalised to the total Volume 48 Number 30 14 August 2019 Pages 11147–11584 an R-factor of about 1%. Dalton number of CIF files that the RSC receives each year. Transactions An international journal of inorganic chemistry rsc.li/dalton dt: Dalton Trans. cc: Chem. Commun. ISSN 1477-9226 PAPER Martin Konhefr, Frank Marken et al. Voltammetric characterisation of diferrocenylborinic acid in ce: CrystEngComm % organic solution and in aqueous media when immobilised into a titanate nanosheet fi lm ra: RSC Adv. Volume 55 Number 63 14 August 2019 Pages 9219–9404 nj: New J. Chem. ChemComm Chemical Communications rsc.li/chemcomm ob: Org. Biomol. Chem. sc: Chem. Sci. ISSN 1359-7345 COMMUNICATION Junji Ichikawa et al. Brønsted acid-catalysed hydroarylation of unactivated alkynes in a fluoroalcohol–hydrocarbon biphasic system: construction of phenanthrene frameworks Volume 21 Number 30 14 August 2019 Pages 4413–4520 CrystEngComm rsc.li/crystengcomm Themed issue: The effects of extreme conditions on molecular solids ISSN 1466-8033 PAPER Martin R. Ward and Iain D. H. Oswald Antisolvent addition at extreme conditions Data source: (2016). Acta Cryst. B72, 171-179. Comparison of weighted R-factor for all reflections included The mean number of structures per article is about The most downloaded CIF files from in the refinement (wR_factor_ref) and the one calculated on 5.2. The average number of structures per article 2015 to the present. the reflections judged significantly intense (R_factor_gt). has increased in the last 20 years. J. Mater. Chem. A, 2013, 1, 5628-5641 Chem. Commun., 2007, 2820-2822 Chem. Commun., 2012,48, 9831-9833 Chem. Commun., 2006, 284-286 Chem. Commun., 2008, 4732-4734 Chem. Commun., 2006, 959-961 Chem. Commun., 2010, 46, 767-769 CrystEngComm, 2013, 15, 654-657 Chem. Commun., 2011, 47, 8037-8039 Chem. Commun., 2006, 1488-1490 Recent research by the Data Science team, www.rsc.org/data-science Collaborations in chemistry Gender bias in chemistry Deep learning for NMR and NLP. First author gender Corresponding author gender .

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