Table 3. Selected Angles (deg) for the Intermediates and Transition States of Pathways I and II.
ORhBa | CγRhP1 | CγRhH | CγRhB | |
---|---|---|---|---|
Im0 | 162.12 | |||
TS1 | 123.19 | 160.83 | 108.48 | 109.05 |
Im1 | 175.60 | 176.78 | 99.32 | 92.03 |
TS2 | 176.11 | 168.01 | 82.40 | 91.34 |
Im2 | 173.12 | 162.02 | 66.29 | 91.95 |
TS3 | 166.68 | 171.08 | 56.05 | 91.37 |
Im3 | 172.82 | 176.68 | 45.88 | 89.26 |
TS4 | 129.25 | 161.06 | 44.33 | |
TS5 | 132.52 | 169.61 | 52.87 | 97.80 |
Im5 | 95.17 | 164.57 | 46.09 | 101.96 |
TS6 | 98.27 | 171.07 | 37.80 | 52.50 |
TS7 | 130.77 | 154.08 | 62.24 | 43.96 |
TS8 | 114.65 | 164.48 | 101.04 | 110.60 |
Im8 | 97.03 | 170.96 | 90.69 | 104.76 |
TS9 | 101.70 | 175.15 | 90.45 | 85.69 |
Im9 | 175.80 | 90.92 | 57.81 | |
TS10 | 174.02 | 45.19 | 56.81 |
O indicates the oxygen atom of the carbonyl moiety.