Figure 2
(Points with error bars) C—C—C—C torsion angles along the carbon chain of 7-methylnonacosane from the single-crystal study (standard uncertainty: 0.3°); (line) the torsion angles from the DFT-D minimized structure, starting from a straightened molecule. The horizontal axis labels the two central C atoms of the torsion. C7, to which the methyl group is attached, is emphasized with *. |