Table 2.
Experimental POAV angles and bowl depths of 5b at the specific focused carbons.
| molecule | POAV angle φ/° | bowl depth/Å | ||||||||
| benzylic | aromatic | |||||||||
| 5b | C1 C2 C3a |
6.5 6.7 6.7 |
C3b C4 |
7.6 7.3 |
C6 C9 |
0.84 0.80 |
C6 C7A C8B |
0.81 0.89 0.88 |
C9 C11 C12 |
0.80 0.89 0.84 |
aCalculated using
C4–C3–C8A,
C8A–C3–C2,
C2–C3–C4; bcalculated using
C4–C3–C7B,
C7B–C3–C2,
C2–C3–C4.