. 2004 Feb 2;101(6):1433–1438. doi: 10.1073/pnas.0307305101

Table 2. Comparison of dihedral angles (in degrees) between the methine hydrogen atoms on the tetrahydro benzo-ring of N²-[10R-(7S,8R,9S-triacetoxy-7,8,9,10-tetrahydrobenzo[a]pyrenyl)]-O⁶-allyl-2′-deoxyguanosine in the crystal structure with calculated values from its solution NMR spectrum.

Dihedral angle	Crystal	NMR^*
H7-C7-C8-H8	153.0	142
H8-C8-C9-H9	56.9	77
H9-C9-C10-H10	72.7	64

At 300 MHz (CDCl₃); this work.

Calculated by use of the Karplus equation, J = A + B cos ϕ + C cos 2ϕ, with A = 7, B = -1, and C = 5 Hz (32) from the observed coupling constants: J_7,8 = 9.0; J_8,9 = 2.3; and J_9,10 = 3.5 Hz

Table 2. Comparison of dihedral angles (in degrees) between the methine hydrogen atoms on the tetrahydro benzo-ring of N2-[10R-(7S,8R,9S-triacetoxy-7,8,9,10-tetrahydrobenzo[a]pyrenyl)]-O6-allyl-2′-deoxyguanosine in the crystal structure with calculated values from its solution NMR spectrum.

Table 2. Comparison of dihedral angles (in degrees) between the methine hydrogen atoms on the tetrahydro benzo-ring of N²-[10R-(7S,8R,9S-triacetoxy-7,8,9,10-tetrahydrobenzo[a]pyrenyl)]-O⁶-allyl-2′-deoxyguanosine in the crystal structure with calculated values from its solution NMR spectrum.