S1 Supporting Information: FANCY BIOISOSTERES: NOVEL PARACYCLOPHANE DERIVATIVES AS SUPER-AFFINITY DOPAMINE D3 RECEPTOR ANTAGONISTS Karin Schlotter, Frank Boeckler, Harald Hübner, and Peter Gmeiner* Table of Contents: Extended discussion about rotational barriers of the N-methylcarboxamide fragment of the cyclophanes 6a-d and characterization of the main transition state ts between m1 and m2 ...…. S2 Table S1: Absolute energy [hartree] of the lowest minimum m1 and relative energy differences [kcal/mol] towards the other local minima m2 and m3 calculated at increasing levels of theory ……………………………………………………………………………….… S3 Calculation of magnetic shielding properties …………………………………………………... S4+5 Figure S1: Superimposition of the final geometries obtained from DFT calculations for m1, m2 and m3 …………………………………………………………………………………….... S6 Table S2: Calculated and experimental chemical shifts (∆δ) [ppm] relative to the carbon atom with the strongest low field shift (C 17 ) ……………………..………………………………….. S7 Elemental Analysis and IR Data ……………………………………………………………….. S8 References …………………………………………………………………………………….. S9