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Columns 2–5 show the calculated thermal conductance of Au–alkanedithiol–Au single-molecule junctions for four types of junction geometries, respectively JT1, JT2, JT3 and JT4. The entry in column 1 shows the alkanedithiol molecule concerned. Junction geometries are either identical to those shown in Extended Data Fig. 6 (for C10) or similar to them (C2–C8). Each terminal sulphur atom attaches to a single Au tip atom for JT1, to two Au tip atoms for JT2 and JT3, or to three Au tip atoms for JT4, while the electrodes are oriented along the (111) crystallographic direction for JT1 and JT4, the (110) direction for JT2 or the (100) direction for JT3. The standard deviation (column 6) indicates the variability of the thermal conductance as determined for each molecule from the four different junctions types.