Parameters

PBT

PBT1

PBT2

Bond lengths (Å)

N11-N12

1.341

1.342

1.341

N12-N13

1.326

1.325

1.325

C14-C15

1.408

1.399

1.408

C15-O16

1.343

1.351

1.333

C15-C17

1.396

1.410

1.409

C17-C18

1.377

1.386

1.393

C18-C19

1.398

1.396

1.389

C19-C20

1.382

1.380

1.386

Bond angles (˚)

N11-N12-N13

116.3

116.2

116.4

C14-C15-C17

117.4

118.5

117.1

C15-C17-C18

121.3

119.0

120.9

C17-C18-C19

121.5

122.0

121.5

C18-C19-C20

117.8

118.9

117.9

O16-C15-C17

118.0

116.4

118.2

Dihedral angles (˚)

O16-C15-C14-C20

−179.8

179.5

−179.8

O16-C15-C17-C18

179.8

−179.4

179.8

C14-C15-C17-C18

0.1

−0.2

0.1

C14-C20-C19-C18

0.2

0.4

0.3