School of Chemistry

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• To Bind or Not to Bind - Dissociation Equilibria Studied by Pulse Dipolar EPR (thesis data)

  Wort, J. (Creator) & Bode, B. E. (Supervisor), University of St Andrews, 11 May 2023

  DOI: 10.17630/ec8eef86-099d-4a1b-8a0d-814a997f352d

  Dataset: Thesis dataset

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• Pulsed EPR Methods in the Angstrom to Nanometre Scale Shed Light on the Conformational Flexibility of a Fluoride Riboswitch

  Remmel, L. (Contributor), Meyer, A. (Creator), Ackermann, K. (Creator), Hagelueken, G. (Creator), Bennati, M. (Creator) & Bode, B. E. (Creator), GRO.data, 2024

  DOI: 10.25625/opalqn

  Dataset

• Data Underpinning: Monitoring Complex Formation by Relaxation-Induced Pulse Electron Paramagnetic Resonance Distance Measurements

  Giannoulis, A. (Creator), Oranges, M. (Creator) & Bode, B. E. (Creator), University of St Andrews, 30 Aug 2017

  DOI: 10.17630/8a0dc118-48b0-46a0-bc9f-a6bbc3f970fb

  Dataset

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• Data underpinning: Sparse labeling PELDOR spectroscopy on multimeric mechanosensitive membrane channels

  Ackermann, K. (Creator), Pliotas, C. (Creator), Valera, S. (Creator), Naismith, J. H. (Creator) & Bode, B. E. (Creator), University of St Andrews, 10 Nov 2017

  DOI: 10.17630/0cc71494-7e2f-49f3-bc98-c3b3768a4c65

  Dataset

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• Synthesis and properties of the heterospin (S1 = S2 = 1/2) radical-ion salt bis(mesitylene)molybdenum(I) [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl (dataset)

  Pushkarevsky, N. (Creator), Semenov, N. (Creator), Dmitriev, A. (Creator), Kuratieva, N. (Creator), Bogomyakov, A. (Creator), Irtegova, I. (Creator), Vasilieva, N. (Creator), Bode, B. E. (Creator), Gritsan, N. (Creator), Konstantinova, L. (Creator), Woollins, J. D. (Creator), Rakitin, O. (Creator), Konchenko, S. (Creator), Ovcharenko, V. (Creator) & Zibarev, A. (Creator), Cambridge Crystallographic Data Centre, 2015

  https://dx.doi.org/10.5517/cc14bvs3 and one more link, https://dx.doi.org/10.5517/cc14nf29 (show fewer)

  Dataset

• Solid-Phase Synthesis of Recyclable Phosphorus Donor Ligands for the Development of Immobilized Transition-Metal Catalyst Libraries (Thesis data)

  Konrath, R. (Creator), Kamer, P. C. J. (Supervisor) & Smith, A. D. (Supervisor), University of St Andrews, Jun 2021

  DOI: 10.17630/ea8ec4c1-1c2a-4bd7-8718-5e2d2009c667, http://hdl.handle.net/10023/17966

  Dataset: Thesis dataset

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• Enantioselective Isothiourea Catalysis via C(1)-Ammonium Enolate Intermediates: Applications and Mechanistic Studies (Thesis data)

  McLaughlin, C. (Creator) & Smith, A. D. (Supervisor), University of St Andrews, 8 Dec 2022

  DOI: 10.17630/db492d31-bb46-42ad-9953-0251c2245363

  Dataset: Thesis dataset

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• data underpinning "Isothiourea-Catalysed Enantioselective Radical Conjugate Addition under Batch and Flow Conditions"

  Smith, A. D. (Creator) & Westwood, M. (Creator), University of St Andrews, 27 May 2022

  DOI: 10.17630/2522a5e8-3d9f-4b24-8aec-46c8a455b394

  Dataset

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• CCDC 1986496: Experimental Crystal Structure Determination

  Kerr, R. W. F. (Creator), Ewing, P. M. D. A. (Creator), Raman, S. K. (Creator), Smith, A. D. (Creator), Williams, C. K. (Creator) & Arnold, P. L. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc24p3jh

  Dataset

• data underpinning "Enantioselective Isothiourea-Catalysed Reversible Michael Addition of Aryl Esters to 2-Benzylidene Malononitriles"

  Smith, A. D. (Creator), Nimmo, A. (Owner), Young, C. M. (Creator) & Bitai, J. (Owner), University of St Andrews, 7 Jul 2023

  DOI: 10.17630/84e083be-87f4-482e-9f60-c9f08eab44cb

  Dataset

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• The Catalytic Enantioselective [1,2]-Wittig Rearrangement of Allylic Ethers (dataset)

  Smith, A. D. (Creator), Kang, T. (Owner), O'Yang, J. (Creator), Kasten, K. (Creator), Cordes, D. B. (Creator), McKay, A. (Creator), Juhl, M. (Creator), Grayson, M. (Creator), Farrar, E. (Creator) & Allsop, S. (Creator), University of St Andrews, 14 Aug 2024

  DOI: 10.17630/5b5778a0-f337-4cbe-b336-c2afac22693b

  Dataset

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• High sensitivity heat capacity measurements on Sr2RuO4 under uniaxial pressure (dataset)

  Li, Y.-S. (Creator), Kikugawa, N. (Creator), Sokolov, D. (Creator), Jerzembeck, F. (Creator), Gibbs, A. (Creator), Maeno, Y. (Creator), Hicks, C. W. (Creator), Schmalian, J. (Creator), Nicklas, M. (Creator) & Mackenzie, A. (Creator), University of St Andrews, 7 Apr 2021

  DOI: 10.17630/b5ff3cfd-bb2d-46c9-a240-7a7064562588

  Dataset

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• Structural phase transitions of multiferroic Bi0.7La0.3FeO3

  Almeida, D. A. (Creator), Moreira, D. J. A. (Creator), Carvalho, M. T. (Creator) & Gibbs, D. A. (Creator), ISIS Facility, 2017

  DOI: 10.5286/isis.e.rb1710261

  Dataset

• STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging (Dataset)

  Turrina, A. (Creator), Garcia, R. (Creator), Watts, A. E. (Creator), Greer, H. F. (Creator), Bradley, J. (Creator), Zhou, W. (Creator), Cox, P. A. (Creator), Shannon, M. D. (Creator), Mayoral, A. (Creator), Casci, J. (Creator) & Wright, P. A. (Creator), University of St Andrews, 24 Feb 2017

  DOI: 10.17630/313df503-6c9b-486f-a2a0-e0c9f6506b50

  Dataset

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• Isothiourea-Catalysed Acylative Kinetic Resolution of Aryl-Alkenyl (sp2 vs sp2) Substituted Secondary Alcohols

  Smith, A. D. (Creator), Musolino, S. F. (Contributor), Ojo, O. S. (Contributor), Westwood, N. J. (Owner) & Taylor, J. E. (Owner), University of St Andrews, 2016

  DOI: 10.17630/5b5c7f5a-7329-40b7-aaed-907c94dff692

  Dataset

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• Data underpinning: N- to C-Sulfonyl Photoisomerisation of Dihydropyridinones: A Synthetic and Mechanistic Study

  Yeh, P.-P. (Contributor), Taylor, J. E. (Contributor), Stark, D. G. (Contributor), Daniels, D. S. B. (Contributor), Fallan, C. (Contributor), Walton, J. C. (Contributor) & Smith, A. D. (Creator), University of St Andrews, 30 Oct 2017

  DOI: 10.17630/55734a8c-cebb-4a38-9175-c9288c68ec83

  Dataset

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• A simple synthetic entryway into palladium cross-coupling catalysis (dataset)

  Zinser, C. M. (Creator), Nahra, F. (Creator), Brill, M. (Creator), Meadows, R. E. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator), Nolan, S. P. (Creator) & Cazin, C. S. J. (Creator), Cambridge Crystallographic Data Centre, 28 Nov 2015

  https://dx.doi.org/10.1039/C7CC02487H

  Dataset

• Scalable total synthesis and SAR delivers a new agrochemical herbicidal lead from Alternaric Acid (dataset)

  Watson, A. J. B. (Creator), Israel, E. M. (Creator), Comas-Barcelo, J. (Creator) & Slawin, A. M. Z. (Creator), University of St Andrews, 9 Nov 2022

  DOI: 10.17630/c41bcf9c-57cc-46f2-94cf-c9f7559554c5

  Dataset

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• CCDC 1971679 - 1971681 & 2042593 - 2042594: Experimental Crystal Structure Determination

  Bell, N. L. (Creator), Xu, C. (Creator), Fyfe, J. W. B. (Creator), Vantourout, J. C. (Creator), Brals, J. (Creator), Chabbra, S. (Creator), Bode, B. E. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator), McGuire, T. M. (Creator) & Watson, A. J. B. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc245pkl, https://dx.doi.org/10.5517/ccdc.csd.cc245plm and 3 more links, https://dx.doi.org/10.5517/ccdc.csd.cc245pmn, https://dx.doi.org/10.5517/ccdc.csd.cc26kh3d, https://dx.doi.org/10.5517/ccdc.csd.cc26kh4f (show fewer)

  Dataset

• CCDC 1960005: Experimental Crystal Structure Determination

  Abazari, R. (Creator), Sanati, S. (Creator), Morsali, A. (Creator), Kirillov, A. M. (Creator), Slawin, A. M. Z. (Creator) & Carpenter-Warren, C. L. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc23sjzf

  Dataset

• CCDC 2087799: Experimental Crystal Structure Determination

  Aitken, R. A. (Creator) & Slawin, A. M. Z. (Creator), Cambridge Crystallographic Data Centre, 2022

  DOI: 10.5517/ccdc.csd.cc282jc8

  Dataset

• Further studies on the pyrolytic domino cyclization of stabilized phosphonium ylides bearing an ortho-aminophenyl group (dataset)

  Aitken, R. A. (Creator), Murray, L. (Creator) & Slawin, A. M. Z. (Creator), Cambridge Crystallographic Data Centre, 27 Aug 2018

  https://dx.doi.org/10.5517/ccdc.csd.cc202yln and one more link, https://doi.org/10.3390/molecules23092153 (show fewer)

  Dataset

• From one to two quaternary centers: ester or nitrile α-alkylation applied to bioactive alkaloids (dataset)

  Voûte, N. (Creator), Neal, A. (Creator), Medda, F. (Creator), Johnston, C. A. (Creator), Slawin, A. M. Z. (Creator) & Westwood, N. J. (Creator), Cambridge Crystallographic Data Centre, 2018

  https://dx.doi.org/10.5517/ccdc.csd.cc1q4411 and 5 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1q4422, https://dx.doi.org/10.5517/ccdc.csd.cc1q4433, https://dx.doi.org/10.5517/ccdc.csd.cc1q4444, https://dx.doi.org/10.5517/ccdc.csd.cc1q4455, https://dx.doi.org/10.5517/ccdc.csd.cc1q4466 (show fewer)

  Dataset

• Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: a synthetic and computational study (crystallography data)

  Barrios Antunez, D. J. (Creator), Greenhalgh, M. D. (Creator), Brueckner, A. C. (Creator), Walden, D. M. (Creator), Elías-Rodríguez, P. (Creator), Roberts, P. (Creator), Young, B. G. (Creator), West, T. H. (Creator), Slawin, A. M. Z. (Creator), Cheong, P.H.-Y. (Creator) & Smith, A. D. (Creator), Cambridge Crystallographic Data Centre, 30 Aug 2019

  https://dx.doi.org/10.5517/ccdc.csd.cc219p9c and 2 more links, http://dx.doi.org/10.5517/ccdc.csd.cc219pbd, http://dx.doi.org/10.5517/ccdc.csd.cc219pcf (show fewer)

  Dataset

• CCDC 1850877 - 1850881: Experimental Crystal Structure Determination

  Thomson, C. (Creator), Al-Maharik, N. (Creator), Buehl, M. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator) & O'Hagan, D. (Creator), Cambridge Crystallographic Data Centre, 2018

  https://dx.doi.org/10.5517/ccdc.csd.cc203zqv and 4 more links, https://dx.doi.org/10.5517/ccdc.csd.cc203zvz, https://dx.doi.org/10.5517/ccdc.csd.cc203zty, https://dx.doi.org/10.5517/ccdc.csd.cc203zsx, https://dx.doi.org/10.5517/ccdc.csd.cc203zrw (show fewer)

  Dataset