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@ARTICLE{Spengler:646670,
      author       = {Spengler, Jonas and Wagenhäuser, Yvonne and Kuhstrebe,
                      Marit and Würthner, Frank},
      title        = {{F}lexibility {I}nduced by {F}our {H}eptagons: {A}
                      {N}egatively {C}urved {P}olycyclic {A}romatic {H}ydrocarbon
                      {C}ut-{O}ut of {S}chwarzite {P}216},
      journal      = {Journal of the American Chemical Society},
      volume       = {148},
      number       = {8},
      issn         = {0002-7863},
      address      = {Washington, DC},
      publisher    = {ACS Publications},
      reportid     = {PUBDB-2026-00917},
      pages        = {9014 - 9022},
      year         = {2026},
      abstract     = {A key feature of the, so far only theoretically described,
                      family of sp2 carbon allotropes called schwarzites is the
                      negatively curved topology, which is introduced by the
                      incorporation of heptagonal (or octagonal) rings in a
                      graphene-type lattice. We have constructed a cut-out of this
                      material with a unique pattern of four heptagonal rings
                      arranged in a row by Pd-catalyzed [4 + 3] and [5 + 2]
                      annulation and characterized it thoroughly. The pronounced
                      flexibility of the π-system, which was investigated by
                      temperature-dependent NMR as well as theoretical
                      calculations, promises to be advantageous for a
                      template-mediated synthesis approach toward the parent
                      schwarzite P216, as it allows maximization of shape
                      complementarity with rigid templates like fullerenes and
                      orientational flexibility for subsequent C–C bond
                      formations. We were able to prove and investigate the
                      presence of supramolecular complexes with C60 and C70 in
                      solution by concentration-dependent NMR titration
                      experiments, as well as in the solid state by single-crystal
                      X-ray and electron diffraction.},
      cin          = {DOOR ; HAS-User},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (DESY) (POF4-6G3) / FS-Proposal: R-20241283
                      (R-20241283) / DFG project G:(GEPRIS)551034153 -
                      Heptagon-enthaltende Kohlenstoff- π-Gerüste mit negativer
                      Kurvatur Teil 2 (551034153)},
      pid          = {G:(DE-HGF)POF4-6G3 / G:(DE-H253)R-20241283 /
                      G:(GEPRIS)551034153},
      experiment   = {EXP:(DE-H253)P-P11-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1021/jacs.5c22358},
      url          = {https://bib-pubdb1.desy.de/record/646670},
}