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
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