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Table 1 Descriptive statistics for 159 conformers of pillar[5]arene

From: Continuous symmetry and chirality measures: approximate algorithms for large molecular structures

 

Relative Energy (kcal/mol)

S(C5)

S(C2)

S(Cs)

Mean

7.4018

9.6912

2.4485

3.5025

Standard deviation

3.6098

1.4267

1.5982

1.1635

Minimum

0.0000

6.5696

0.0000

1.8117

Median

7.1712

9.5697

2.2816

3.3873

Maximum

20.4235

12.9361

7.0320

6.5419

  1. CSM values were calculated with the exact algorithm