Naphthalene [3]helicene [4]helicene [5]helicene [6]helicene [7]helicene [8]helicene [9]helicene [10]helicene [11]helicene [12]helicene //github.com/ewolpert1/nhelicenes. The 10 kJ mol -1 energy cut off was selected from considerations of the previous six helicene structures studied, plus compounds from the first five CSP blind tests. The threshold selected corresponds to the 95% confidence interval that the minimum energy level structure will be included and carried forward to the DFT relaxations. Furthermore, structures were identified as duplicates and removed if they were within 0.01 kJ mol -1 in energy and 0.01 g cm in the unit-cell density. These values were selected as conservative cut-offs since duplicate structures can possess energy and volume differences larger than this due to the choice of geometry relaxation thresholds.