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DC Field | Value | Language |
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dc.contributor.author | Gall, JH | - |
dc.contributor.author | MacNicol, DD | - |
dc.contributor.author | MacSween, R | - |
dc.contributor.author | Frampton, CS | - |
dc.date.accessioned | 2024-10-09T08:23:09Z | - |
dc.date.available | 2024-10-09T08:23:09Z | - |
dc.date.issued | 2019-03-01 | - |
dc.identifier | ORCiD: Christopher S. Frampton https://orcid.org/0000-0003-1749-0360 | - |
dc.identifier.citation | Gall, J.H. et al. (2019) 'Synthesis and crystal structure of 2,4,6,8-tetrakis(3,5-di-tert-butylphenoxy)pyrimido[5,4-d]- pyrimidine: Expansion of the Piedfort concept', Acta Crystallographica Section E: Crystallographic Communications, 2019, 75 pp. 383 - 387. doi: 10.1107/S2056989019002470. | en_US |
dc.identifier.uri | https://bura.brunel.ac.uk/handle/2438/29912 | - |
dc.description | Supporting information: this article has supporting information at https://journals.iucr.org/e/issues/2019/03/00/hb7803/index.html [29 pp.]. | en_US |
dc.description.abstract | The title host compound, C62H84N4O4, designed to self-assemble to form a new type of extended core Piedfort unit reminiscent of an eight-legged spider host, forms a number of crystalline inclusion compounds favouring oxygen-containing guest molecules. We have established the presence of this unit in the unsolvated molecular crystal at 100 K, which is monoclinic, space group P21/n, with Z = 8. The new Piedfort unit is chiral and its core structure closely approximates to D2 symmetry, with both enantiomers present in the crystal. Rather than being superposed with a staggered arrangement of nitrogen atoms, the rings are rotated by an angle of approximately 45 with respect to each other, and the shortest contact between them is 3.181 (2) A ° . The compound’s significant inclusion properties may be taken to suggest the participation of an extended Piedfort unit in the microcrystalline adducts formed. The presence of such a dimeric host unit in the clathrates has, however, not yet been established because of the current lack of suitable single crystals for X-ray analysis. | en_US |
dc.description.sponsorship | University of Glasgow (Loudon Bequest) financial support (to RM). | en_US |
dc.format.extent | 383 - 387 | - |
dc.format.medium | Electronic | - |
dc.language | English | - |
dc.language.iso | en | en_US |
dc.publisher | International Union of Crystallography | en_US |
dc.rights | Attribution 4.0 International | - |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | - |
dc.subject | crystal structure | - |
dc.subject | host-guest | - |
dc.subject | inclusion | - |
dc.subject | Piedfort | - |
dc.subject | spider host | - |
dc.subject | self-assembly | - |
dc.title | Synthesis and crystal structure of 2,4,6,8-tetrakis(3,5-di-tert-butylphenoxy)pyrimido[5,4-d]- pyrimidine: Expansion of the Piedfort concept | en_US |
dc.type | Article | en_US |
dc.date.dateAccepted | 2019-02-17 | - |
dc.identifier.doi | https://doi.org/10.1107/S2056989019002470 | - |
dc.relation.isPartOf | Acta Crystallographica Section E: Crystallographic Communications | - |
pubs.publication-status | Published | - |
pubs.volume | 75 | - |
dc.identifier.eissn | 2056-9890 | - |
dc.rights.license | https://creativecommons.org/licenses/by/4.0/legalcode.en | - |
dc.rights.holder | The Author(s) | - |
Appears in Collections: | The Experimental Techniques Centre |
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FullText.pdf | Copyright © 2019 The Author(s). This work is licensed under a Creative Commons Attribution 4.0 International License (https://creativecommons.org/licenses/by/4.0/). | 967.9 kB | Adobe PDF | View/Open |
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