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This unusual molecule has a quaternary carbon atom that is coordinated to four further such quaternary carbon atoms as its core, each pair of which is bonded to an <jats:italic>ortho<\/jats:italic>\u2010phenylene unit. Previous NMR studies have shown that the molecule has tetrahedral (<jats:italic>T<\/jats:italic><jats:sub>d<\/jats:sub>) symmetry in solution. The infrared and Raman spectra of chloroform and deuterochloroform solutions of <jats:bold>1<\/jats:bold> are completely in agreement with this conclusion, as the only modes that are visible are those allowed for <jats:italic>T<\/jats:italic><jats:sub>d<\/jats:sub> symmetry. This is not the case in the solid state: X\u2010ray powder diffraction indicates that the unit cell is triclinic or monoclinic with a volume in excess of 4000\u2005\u00c5<jats:sup>3<\/jats:sup>. The vibrational spectroscopy is consistent with <jats:italic>C<\/jats:italic><jats:sub>1<\/jats:sub> site symmetry and the presence of at least two molecules in the primitive cell. It is likely that the space group is centrosymmetric.<\/jats:p>","DOI":"10.1002\/chem.202302057","type":"journal-article","created":{"date-parts":[[2023,7,14]],"date-time":"2023-07-14T08:48:43Z","timestamp":1689324523000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Centrohexaindane, a Unique Polyaromatic Hydrocarbon Bearing the Rare C<sup><i>q<\/i><\/sup>(C<sup><i>q<\/i><\/sup>)<sub>4<\/sub> Core: Inelastic Neutron Scattering, Infrared and Raman Spectroscopy"],"prefix":"10.1002","volume":"29","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3228-2570","authenticated-orcid":false,"given":"Stewart F.","family":"Parker","sequence":"first","affiliation":[{"name":"ISIS Neutron and Muon Source STFC Rutherford Appleton Laboratory  Chilton OX11 0QX UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A. 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