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dc.contributor.authorSenge, Mathias
dc.date.accessioned2021-02-23T21:20:51Z
dc.date.available2021-02-23T21:20:51Z
dc.date.issued2020
dc.date.submitted2020en
dc.identifier.citationKingsbury, C. J., Flanagan, K.J., Kielmann, M., Twamley, B., Senge, M.O., Crystal structures of 2,3,7,8,12,13,17,18-octa­bromo-5,10,15,20-tetra­kis­(penta­fluoro­phen­yl)porphyrin as the chloro­form monosolvate and tetra­hydro­furan monosolvate, Acta Crystallographica Section E: Crystallographic Communications, 2020, 76(Pt 2): 214–220en
dc.identifier.otherY
dc.identifier.urihttp://hdl.handle.net/2262/95324
dc.description.abstractThe crystal structures of the title compounds, two solvates (CHCl3 and THF) of a symmetric and highly substituted porphyrin, C44H2Br8F20N4 or OBrTPFPP, are described. These structures each feature a non-planar porphyrin ring, exhibiting a similar conformation of the strained ring independent of solvent identity. These distorted porphyrins are able to form hydrogen bonds and sub-van der Waals halogen inter­actions with enclathrated solvent; supra­molecular inter­actions of proximal macrocycles are additionally affected by solvent choice. The crystal studied for compound 1·CHCl3 was refined as an inversion twin. One penta­fluoro­phenyl group was modelled as disordered over two sites [occupancy ratio = 0.462 (7):0.538 (7)]. The chloro­form solvate was also modelled as disordered over two orientations [occupancy ratio = 0.882 (7): 0.118 (7).en
dc.format.extent214-220en
dc.language.isoenen
dc.relation.ispartofseriesActa Crystallographica Section E: Crystallographic Communications;
dc.relation.ispartofseries76;
dc.rightsYen
dc.subjectCrystal Structuresen
dc.subjectSymmetrical porphyrinsen
dc.subjectNon-planar porphyrinsen
dc.subjectHalogenated porphyrinsen
dc.subjectSolvent inter­actionsen
dc.titleCrystal structures of 2,3,7,8,12,13,17,18-octa­bromo-5,10,15,20-tetra­kis­(penta­fluoro­phen­yl)porphyrin as the chloro­form monosolvate and tetra­hydro­furan monosolvateen
dc.typeJournal Articleen
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/sengem
dc.identifier.rssinternalid224225
dc.identifier.doihttp://dx.doi.org/10.1107/S2056989020000432
dc.rights.ecaccessrightsopenAccess
dc.contributor.sponsorScience Foundation Irelanden
dc.contributor.sponsorGrantNumberIvP 13/IA/1894en


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