School of Chemistry

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• Determining the Surface Structure of Silicated Alumina Catalysts via Isotopic Enrichment and Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy (dataset)

  Rankin, A. G. M. (Creator), Webb, P. B. (Creator), Dawson, D. M. (Creator), Viger-Gravel, J. (Creator), Walder, B. (Creator), Emsley, L. (Creator) & Ashbrook, S. E. M. (Creator), University of St Andrews, 14 Nov 2017

  DOI: 10.17630/00533fb3-e938-498d-bfe4-f07d82c309d6

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• Is the 31P Chemical Shift Anisotropy of Aluminophosphates a Useful Parameter for NMR Crystallography? (dataset)

  Dawson, D. M. (Creator), Moran, R. (Creator), Sneddon, S. (Creator) & Ashbrook, S. E. M. (Creator), University of St Andrews, 9 Nov 2018

  DOI: 10.17630/ba570d0a-59a1-43d6-8d1a-c2ff2ef1f2f9

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• Synthesis and Optoelectronic Properties of Benzoquinone-Based Donor- Acceptor Compounds (dataset)

  Sutherland, D. R. (Creator), Sharma, N. (Creator), Rosair, G. M. (Creator), Samuel, I. D. W. (Creator), Lee, A.-L. (Creator) & Zysman-Colman, E. (Creator), University of St Andrews, 2019

  DOI: 10.17630/178f3a7c-4717-43f0-a145-049675825e1a

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• Data underpinning - Probing the Energy Levels of Perovskite Solar Cells via Kelvin Probe and UV Ambient Pressure Photoemission Spectroscopy

  Harwell, J. R. (Creator), Baikie, T. (Creator), Baikie, I. (Creator), Payne, J. L. (Creator), Ni, C. (Creator), Irvine, J. T. S. (Creator), Turnbull, G. A. (Creator) & Samuel, I. D. W. (Creator), University of St Andrews, 3 Aug 2016

  DOI: 10.17630/64e61735-c15f-4cd8-9edb-f950d21627b9

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• Two synthetic replicators compete to process a dynamic reagent pool (dataset)

  Kosikova, T. (Creator) & Philp, D. (Creator), University of St Andrews, 1 Mar 2019

  DOI: 10.17630/2c61e01d-0d9b-4e11-b744-4c6740267002

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• CCDC 2219492: Experimental Crystal Structure Determination

  Chalmers, B. A. (Creator), Cordes, D. B. (Creator), Doig, T. (Creator), Du, Y. (Creator), Lebl, T. (Creator), Liu, M. (Creator), Mealyou, F. (Creator), Rainer, J. (Creator), Smith, S. R. (Creator), Walker, R. (Creator) & Smellie, I. A. (Creator), Cambridge Crystallographic Data Centre, 2022

  DOI: 10.5517/ccdc.csd.cc2dhkj0

  Dataset

• Data underpinning - A reactive nitrone-based organogel that self-assembles from its constituents in chloroform

  Richards, J. (Creator) & Philp, D. (Creator), University of St Andrews, 2017

  DOI: 10.17630/23034ed5-af1d-4404-b4a6-70b16d030c66

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• Underpinning Data - Ethene to Graphene: Surface Catalyzed Chemical Pathways, Intermediates, and Assembly

  Wang, B. (Creator), König, M. (Creator), Bromley, C. (Creator), Yoon, B. (Creator), Treanor, M. J. (Creator), Garrido Torres, J. A. (Creator), Caffio, M. (Creator), Grillo, F. (Creator), Fruchtl, H. A. (Creator), Richardson, N. V. (Creator), Esch, F. (Creator), Heiz, U. (Creator), Landman, U. (Creator) & Schaub, R. (Creator), University of St Andrews, 30 Mar 2017

  DOI: 10.17630/dcf140b9-ea78-4cd7-a279-c8d19e6e42b7

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• Cooperative binding in a phosphine oxide-based halogen bonded dimer drives supramolecular oligomerization (dataset)

  Maugeri, L. (Creator), Lebl, T. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator) & Philp, D. (Creator), Cambridge Crystallographic Data Centre, 3 Nov 2016

  https://dx.doi.org/10.5517/ccdc.csd.cc1mvdql and 2 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1mvdrm, https://dx.doi.org/10.5517/ccdc.csd.cc1mvdsn (show fewer)

  Dataset

• Compositional persistence in a multicyclic network of synthetic replicators (dataset)

  Huck, J. (Creator), Kosikova, T. (Creator) & Philp, D. (Creator), University of St Andrews, 21 Aug 2019

  DOI: 10.17630/01de2c09-14e0-4e59-8111-d53f3e18c531

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• Data underpinning "A Dissipative Reaction Network Drives Transient Solid-Liquid and Liquid-Liquid Phase Cycling of Nanoparticles"

  Roy, S. (Contributor), Gravener, L. (Contributor), Philp, D. (Contributor) & Kay, E. R. (Creator), University of St Andrews, 24 Mar 2023

  DOI: 10.17630/2bb8f289-2a16-4940-9527-c71fbc21a394

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• Data underpinning - Orthogonal recognition processes drive the assembly and replication of a [2]rotaxane

  Kosikova, T. (Creator), Hassan, N. I. B. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator) & Philp, D. (Creator), University of St Andrews, 20 Sept 2016

  DOI: 10.17630/d115d058-349e-4300-94e3-76a3181a9fc7

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• Data underpinning - Exploring the Self-Assembly and Energy Transfer of Dynamic Supramolecular Iridium-Porphyrin Systems

  Rota Martir, D. (Creator), Hedley, G. J. (Creator), Cordes, D. B. (Creator), Slawin, A. M. Z. (Creator), Escudero, D. (Creator), Jacquemin, D. (Creator), Kosikova, T. (Creator), Philp, D. (Creator), Dawson, D. M. (Creator), Ashbrook, S. E. M. (Creator), Samuel, I. D. W. (Creator) & Zysman-Colman, E. (Creator), University of St Andrews, 3 Oct 2016

  DOI: 10.17630/536a6248-4f98-4934-a743-eb32ccdf1f38

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• CCDC 2168726: Experimental Crystal Structure Determination

  Zhang, L. (Creator), Qiu, Y. (Creator), Liu, W.-G. (Creator), Chen, H. (Creator), Shen, D. (Creator), Song, B. (Creator), Cai, K. (Creator), Wu, H. (Creator), Jiao, Y. (Creator), Feng, Y. (Creator), Seale, J. S. W. (Creator), Pezzato, C. (Creator), Tian, J. (Creator), Tan, Y. (Creator), Chen, X.-Y. (Creator), Guo, Q.-H. (Creator), Stern, C. L. (Creator), Philp, D. (Creator), Astumian, R. D. (Creator), Goddard, W. A. (Creator) & Stoddart, J. F. (Creator), Cambridge Crystallographic Data Centre, 2023

  DOI: 10.5517/ccdc.csd.cc2bsqxs

  Dataset

• Characterization of the fast and promiscuous macrocyclase from plant PCY1 enables the use of simple substrates (dataset)

  Ludewig, H. (Creator), Melo Czekster, C. (Creator), Oueis, E. (Creator), Munday, E. S. (Creator), Arshad, M. (Creator), Synowsky, S. A. (Creator), Bent, A. F. (Creator) & Naismith, J. H. (Creator), Protein Data Bank (PDB), 7 Feb 2018

  http://www.rcsb.org/pdb/results/results.do?tabtoshow=Current&qrid=7313B98C and 4 more links, http://dx.doi.org/10.2210/pdb5O3X/pdb, http://dx.doi.org/10.2210/pdb5O3W/pdb, http://dx.doi.org/10.2210/pdb5O3V/pdb, http://dx.doi.org/10.2210/pdb5O3U/pdb (show fewer)

  Dataset

• Quantitative proteomic changes in LPS-activated monocyte-derived dendritic cells (dataset)

  Arya, S. (Creator), Wiatrek, D. (Creator), Synowsky, S. A. (Creator), Shirran, S. L. (Creator), Botting, C. H. (Creator), Powis, S. J. (Creator) & Stewart, A. J. (Creator), EMBL-EBI, 18 Mar 2019

  https://www.ebi.ac.uk/pride/archive/projects/PXD008898

  Dataset

• Hydroxyapatite-binding plasma proteins in Age-related macular degenaration (dataset)

  Arya, S. (Contributor), Emri, E. (Contributor), Synowsky, S. A. (Contributor), Shirran, S. L. (Contributor), Barzegar-Befroeid, N. (Contributor), Peto, T. (Contributor), Botting, C. H. (Contributor), Lengyel, I. (Contributor) & Stewart, A. J. (Contributor), Queen's University Belfast, 1 Jan 2018

  DOI: 10.17034/ab1c7446-508d-4124-9afb-4a0d48d537d6

  Dataset

• The crystal structures of three disordered 2-substituted benzimidazole esters (dataset)

  Chinthal, C. H. (Creator), Yathirajan, H. S. (Creator), Manju, N. (Creator), Kalluraya, B. (Creator), Foro, S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 29 Mar 2021

  DOI: 10.5517/ccdc.csd.cc27m8fl, https://dx.doi.org/10.5517/ccdc.csd.cc27m8gm and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc27m8hn (show fewer)

  Dataset

• Novel Five- and Six-membered Ring Phosphorus-Selenium Heterocycles from Selenation of Amido-Schiff Bases (dataset)

  Woollins, J. D. (Creator), Cambridge Crystallographic Data Centre, 2020

  https://dx.doi.org/10.5517/ccdc.csd.cc24g0zm and 7 more links, https://dx.doi.org/10.5517/ccdc.csd.cc24g10p, https://dx.doi.org/10.5517/ccdc.csd.cc24g11q, https://dx.doi.org/10.5517/ccdc.csd.cc24g12r, https://dx.doi.org/10.5517/ccdc.csd.cc24g13s, https://dx.doi.org/10.5517/ccdc.csd.cc24g14t, https://dx.doi.org/10.5517/ccdc.csd.cc24g15v, https://dx.doi.org/10.5517/ccdc.csd.cc24g16w (show fewer)

  Dataset

• The crystal structures of three clozapinium salts: different molecular configurations, and supramolecular assembly in one, two and three dimensions (dataset)

  Kaur, M. (Creator), Jasinski, J. P. (Creator), Yathirajan, H. S. (Creator), Kavitha, C. N. (Creator), Glidewell, C. (Creator) & Harrison, W. T. A. (Creator), Cambridge Crystallographic Data Centre, 2015

  https://dx.doi.org/10.5517/cc14dj9c and 2 more links, https://dx.doi.org/10.5517/cc14djbd, https://dx.doi.org/10.5517/cc14djcf (show fewer)

  Dataset

• Different patterns of supra­molecular aggregation in three amides containing N-(benzo[d]thia­zol­yl) substituents (dataset)

  Mahesha, N. (Creator), Yathirajan, H. S. (Creator), Nagma Banu, H. A. (Creator), Kalluraya, B. (Creator), Foro, S. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 4 Apr 2021

  DOI: 10.5517/ccdc.csd.cc27nh7n, https://dx.doi.org/10.5517/ccdc.csd.cc27nh6m and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc27nh5l (show fewer)

  Dataset

• The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: crystallography study and Hirshfeld surface analysis; completed with a CSD survey (crystallography data)

  Setifi, Z. (Creator), Geiger, D. (Creator), Jelsch, C. (Creator), Maris, T. (Creator), Glidewell, C. (Creator), Mirzaei, M. (Creator), Arefian, M. (Creator) & Setifi, F. (Creator), Cambridge Crystallographic Data Centre, 2018

  https://doi.org/10.5517/ccdc.csd.cc1njqmj and one more link, https://doi.org/10.5517/ccdc.csd.cc1njqnk (show fewer)

  Dataset

• Double‐Decker Coordination Cages (dataset)

  Bandi, S. (Creator), Samantray, S. (Creator), Chakravarthy, R. D. (Creator), Pal, A. K. (Creator), Hanan, G. S. (Creator) & Chand, D. K. (Creator), Cambridge Crystallographic Data Centre, 11 Jan 2016

  https://dx.doi.org/10.5517/ccdc.csd.cc1kk9t7 and 4 more links, https://dx.doi.org/10.5517/cc12gjy0, https://dx.doi.org/10.5517/ccdc.csd.cc1kk9v8, https://dx.doi.org/10.5517/ccdc.csd.cc1kk9w9, https://dx.doi.org/10.5517/cc12gjz1 (show fewer)

  Dataset

• Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene (dataset)

  Romo, P. E. (Creator), Quiroga, J. (Creator), Cobo, J. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2021

  http://10.5517/ccdc.csd.cc28bsfv and 4 more links, https://dx.doi.org/10.5517/ccdc.csd.cc28bsdt, https://dx.doi.org/10.5517/ccdc.csd.cc28bscs, https://dx.doi.org/10.5517/ccdc.csd.cc28bsbr, https://dx.doi.org/10.5517/ccdc.csd.cc28bs9q (show fewer)

  Dataset

• Ethyl (4-benzyloxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate and a redetermination of ethyl (4RS)-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, as its 0.105-hydrate, both at 200K: subtly different hydrogen-bonded ribbons (dataset)

  Sarojini, B. K. (Creator), Yathirajan, H. S. (Creator), Hosten, E. C. (Creator), Betz, R. (Creator) & Glidewell, C. (Creator), Cambridge Crystallographic Data Centre, 2015

  https://dx.doi.org/10.5517/cc13tzpl and one more link, https://dx.doi.org/10.5517/cc13tzqm (show fewer)

  Dataset