Table 2. DFQ: primary results of the global optimization by FIDEL-GO (stage RE1) and best structure of each crystal symmetry.

Space group	Z		V/Z (Å3 mol−1)	a (Å)	b (Å)	c (Å)	α (°)	β (°)	γ (°)
P21/c	4	0.9605	357.58	3.762	27.812	14.019	90	102.80	90
	1	0.9481	359.14	3.675	7.072	14.166	98.90	90.80	98.78
P1	1	0.9481	359.14	3.675	7.072	14.166	98.90	90.80	98.78
P21/c	2	0.9463	360.94	14.323	3.763	13.706	90	102.24	90
P21	2	0.9293	355.86	7.014	27.981	3.714	90	102.43	90
C2/c	4	0.9259	376.72	14.490	3.842	28.890	78.03	78.55	75.84
P212121	4	0.9109	361.51	3.926	13.278	27.738	90	90	90
Pbca	4	0.8806	346.90	3.760	13.298	27.751	90	90	90
C2/m	2	0.8663	369.69	15.521	3.405	15.683	90	116.86	90