Selected bond angle

Calculated

Value

Experimental

Value

Error

Connectivity

Atom 1

Atom 2

Atom 3

A(C1-C2-H7)

120.6

-

1

2

7

A(C2-C3-C8)

123.4

118.5

5.4

2

3

8

A(C8-C3-C4)

117.5

121.4

3.9

8

3

4

A(C17-C4-N15)

118.5

-

17

4

15

A(C3-C4-N15)

120.4

118

2.4

3

4

15

A(N15-C11-C12)

124.2

121.6

2.6

15

11

12

A(N15-C11-H13)

116.3

-

15

11

13

A(H13-C11-C12)

119.6

-

13

11

12