SCSD for refcode LECKEK retrieved from the calix4 dataset using C_4v symmetry

Table 1; SCSD parameters derived from the atom positions

Symm	Sum (SCSD, Å)	PCA Err	PCA (1)	PCA (2)
A1	3.40	2.46	-0.05	-1.76
A2	0.57	0.40	0.55	0.18
B1	9.15	0.85	9.67	1.28
B2	2.14	0.34	1.71	1.48
Ex	1.66	1.67	0.03	-0.03
Ey	1.66	0.76	0.23	1.32
Ex+y	1.80	1.63	-0.03	0.93
Ex-y	1.47	1.03	-0.32	-1.11

Figure 1; Neoplastic representation of the SCSD parameters

Figure 2; Atom positions and symmetric decomposition modes

Table 2; Most similar in precalculated databases