Capturing C90 Isomers as CF3 Derivatives: C90(30)(CF3)14, C90(35)(CF3)16/18, and C90(45)(CF3)16/18

High‐temperature trifluoromethylation of a C90 isomeric mixture with CF3I followed by HPLC separation of C90(CF3)n isomers resulted in the isolation of several individual C90(CF3)14−18 compounds. Single crystal X‐ray diffraction with the use of synchrotron radiation resulted in the structure determination of C90(30)(CF3)14, C90(35)(CF3)16/18, and C90(45)(CF3)16/18. Their addition patterns are discussed and compared with the known isomers C90(30)(CF3)18 and C90(35)(CF3)14, respectively. The presence of the most stable C90 isomer, C90(45), in the fullerene soot has been confirmed for the first time. The most stable isomer of C90 fullerene, C2‐C90(45), has been captured for the first time as C90(45)(CF3)16/18 by high‐temperature trifluoromethylation of a C90 isomeric mixture followed by HPLC separation and X‐ray diffraction. Three other CF3 derivatives of the previously known C90 isomers, C90(30)(CF3)14 and C90(35)(CF3)16/18, have been also structurally characterized by single crystal X‐ray study with the use of synchrotron radiation.