Research Article

Space Group Approximation of a Molecular Crystal by Classifying Molecules for Their Electric Potentials and Roughness on Their Inertial Ellipsoid Surface

Table 4

Total averages and for potentials and concavities on the inertial ellipsoid IE, and the average of the 26 standard deviations of 26 and 26 for each space group SG. is the average of the 26 averaged (vertical sense in Supplementary Table) between the molecules of the SG. is the average of the 26 standard deviations for the . is the average of the 26 averaged (vertical sense in Supplementary Table) between the molecules of the SG. is the average of the 26 standard deviations for the . des is the standard deviation of the last average .

moleculesdes

14NoP21/c0.090.102.260.470.12
31azols0.0050.092.180.420.11
17P21/c0.010.072.110.340.10
6FAQP21/c−0.050.052.150.250.08

2P-1−0.0030.052.500.520.13
3P2121210.0710.132.020.380.11
3Pna21−0.0030.052.180.350.07
3Pbca−0.010.062.210.340.18

shows the similarity for the molecules in the same point of IE.
shows the similarity for the molecules in the same point of IE.
des shows the similarity between the .