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

Table 2

Mean form factors , of the inertial ellipsoid; mean planarity of the molecules (between max = 2, 1 and min = 0); and mean molecular planes of symmetry , , or (between max = 2, 1 and min = 0), with their standard deviations, for each SG.

		des		des		des		des		des		des
14NoP21/c	0.69	0.16	0.43	0.16	1.43	0.76	1.43	0.76	0.21	0.43	0.36	0.50
31az	0.68	0.15	0.43	0.15	1.35	0.84	1.42	0.76	0.19	0.40	0.45	0.51
17P21/c	0.66	0.14	0.43	0.14	1.29	0.92	1.41	0.80	0.18	0.39	0.53	0.51
6FAQP21c	0.67	0.16	0.40	0.06	1.83	0.41	1.67	0.52	0	0	0.67	0.52
3Pbca	0.70	0.23	0.41	0.19	1.33	1.15	1.33	1.15	0	0	0.67	0.58
3P212121	0.57	0.20	0.28	0.03	1.67	0.58	1.67	0.58	0.67	0.58	0.33	0.58
3Pna21	0.81	0.14	0.43	0.08	1.33	0.58	1	0	0	0	0	0
2P-1	0.73	0.07	0.63	0.19	1.5	0.71	2	0	0	0	0.50	0.71