Table 2.

Compiled NMR and PSEUROT 6.2 Data. Exp. And Lit. refer to experimentally determined values and literature references, respectively.

		H		OH		OCH3		F*		SCH3		SeCH3
		Exp.	Lit. a	Exp.	Lit. a	Exp.	Lit. b	Exp.	Lit. a,c	Exp.	Lit. d,e	Exp.
J 1’-2’		7.2	6.3	4.5	4.8	3.9	4.0	1.4	1.5	8.3	8.5	8.7
J 1’-2”		6.1	6.4					19.7	19.7
J 2’-3’		6.9	6.3	5.3	5.2	5.2	5.4	5.0	5.1	5.8	5.5	5.7
J 2”-3’		3.9	4.3					21.5	21.6
J 3’-4’		3.9	4.0	5.5	5.4	5.7	5.9	8.6	8.7	2.8	2.0	2.9
		Exp.	Lit.a	Exp.	Lit.a	Exp.	Lit.b	Exp.	Lit. a	Exp.	Lit.e	Exp.
I.
North
P		18.0	18.0	32.4	16.0	12.5	11.0	28.6‡	21.0	−22.5	-	−13.3
ΦM		38.0	-	32.0	35.0	32.0	35.0	32.0	41	32.0	-	32.0
II.
South
P		141.5	162.0	156.6	167.0	144.7	171.0	38.6‡	159.0	138.7	-	137.6
ΦM		32.3	-	35.0	38.0	35.0	37.0	35.0	41	35.0	-	35.0
%S		67	60	40	47	38	40	32‡	13	81	76	84

^*The J_1’-2’’ and J_2’’-3’ values in this column designate H1’-F2’ and H3’-F2’ coupling, respectively.

^‡These values do not represent a %S conformer, rather a percent of a second starting northern conformer. Neither Pseurot nor the Matlab script were able to fit the data of 4 to both northern and southern conformations; despite varying input conditions, the programs consistently returned two northern conformers.

Table references:

^a(Guschlbauer & Jankowski, 1980);

^b(Davies & Danyluk, 1974);

^c(Joecks, K ppel, Schleinitz, & Cech, 1983);

^d(Fraser, Wheeler, Dan Cook, & Sanghvi, 1993; Robins, Mullah, Wnuk, & Dalley, 1992);

^e(Robins et al., 1992)