Conformer

Bond angle/˚

Bond length/Å

Dihedral angle/˚

C9↔C12 distance/Å

C9-C10-C11

C10-C11-C12

C9-C10

C10-C11

C11-C12

C9-C10-C11-C12

CLA

1

s-trans

124.8

123.0

1.341

1.448

1.341

−179.7

3.689

3

s-cis

124.7

122.8

1.341

1.448

1.340

179.7

3.687

5

s-trans

124.8

124.7

1.341

1.447

1.341

−179.0

3.703

6

s-trans

123.1

123.0

1.340

1.448

1.341

179.9

3.677

9

s-cis

125.1

125.4

1.340

1.447

1.341

−15.0

3.010

MAC

15

exo-cis

120.7

121.7

1.490

1.336

1.491

1.5

2.880

16

endo-cis

119.6

119.5

1.491

1.338

1.491

0.0

2.809