Table 2.

Calculated and experimental distance values for conformers A1–D2 of compound 12. Distances are shown in Å. Experimental values were recorded in CDCl_3.

	d(F-H2′) (Å)	d(F-H4′) (Å)	d(F-H1′) (Å)	d(F-H3′) (Å)	Avg. Deviation
A1 (SR-north)	2.017	4.150	3.025	2.511	0.541
A2 (SR-south)	2.038	4.006	3.300	2.496	0.534
B1 (RR-north)	2.028	2.757	2.452	3.292	0.289
B2 (RR-south)	2.025	4.292	2.497	2.917	0.554
C1 (RS-north)	2.036	2.630	2.419	2.511	0.048
C2 (RS-south)	2.025	4.313	2.462	2.417	0.536
D1 (SS-north)	2.014	4.076	3.108	2.951	0.552
D2 (SS-south)	2.017	4.046	3.285	3.288	0.618
NOE	1.000	0.174	0.437	0.330
Distance	2.027	2.713	2.327	2.438