FW6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C12 | C11 | sing | 1.53Å | 1.51Å | |
C11 | C10 | sing | 1.51Å | 1.51Å | |
C10 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
C10 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
C13 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
C09 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
C06 | O05 | sing | 1.36Å | 1.41Å | |
C06 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
O05 | P02 | sing | 1.61Å | 1.59Å | |
C08 | C07 | sing | 1.38Å | 1.39Å | Aromatic |
O04 | P02 | sing | 1.61Å | 1.58Å | |
P02 | O01 | doub | 1.48Å | 1.58Å | |
P02 | O03 | sing | 1.61Å | 1.58Å | |
C07 | H1 | sing | 1.08Å | 1.08Å | |
C08 | H2 | sing | 1.08Å | 1.08Å | |
C09 | H3 | sing | 1.08Å | 1.08Å | |
C11 | H4 | sing | 1.09Å | 1.10Å | |
C11 | H5 | sing | 1.09Å | 1.10Å | |
C12 | H6 | sing | 1.09Å | 1.10Å | |
C12 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C13 | H9 | sing | 1.08Å | 1.08Å | |
O03 | H11 | sing | 0.97Å | 0.95Å | |
O04 | H10 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C12 | C11 | C10 | 112.0° | 109.5° |
C12 | C11 | H4 | 108.8° | 109.4° |
C12 | C11 | H5 | 108.8° | 109.5° |
C11 | C12 | H6 | 109.5° | 109.5° |
C11 | C12 | H7 | 109.5° | 109.5° |
C11 | C12 | H8 | 109.5° | 109.4° |
C11 | C10 | C13 | 120.3° | 120.0° |
C11 | C10 | C09 | 119.4° | 120.0° |
C10 | C11 | H4 | 108.8° | 109.5° |
C10 | C11 | H5 | 108.8° | 109.5° |
C13 | C10 | C09 | 120.3° | 120.0° |
C10 | C13 | C06 | 119.9° | 120.0° |
C10 | C13 | H9 | 120.0° | 120.0° |
C10 | C09 | C08 | 119.8° | 120.1° |
C10 | C09 | H3 | 120.1° | 119.9° |
C13 | C06 | O05 | 119.9° | 120.1° |
C13 | C06 | C07 | 119.7° | 119.9° |
C06 | C13 | H9 | 120.1° | 120.0° |
C09 | C08 | C07 | 120.2° | 120.1° |
C09 | C08 | H2 | 119.9° | 120.0° |
C08 | C09 | H3 | 120.1° | 119.9° |
O05 | C06 | C07 | 120.4° | 120.0° |
C06 | O05 | P02 | 121.8° | 114.0° |
C06 | C07 | C08 | 120.1° | 119.9° |
C06 | C07 | H1 | 119.9° | 120.0° |
O05 | P02 | O04 | 109.0° | 109.4° |
O05 | P02 | O01 | 110.7° | 109.5° |
O05 | P02 | O03 | 109.5° | 109.4° |
C08 | C07 | H1 | 120.0° | 120.1° |
C07 | C08 | H2 | 119.9° | 119.9° |
O04 | P02 | O01 | 109.0° | 109.5° |
O04 | P02 | O03 | 109.0° | 109.5° |
P02 | O04 | H10 | 109.5° | 114.0° |
O01 | P02 | O03 | 109.6° | 109.5° |
P02 | O03 | H11 | 109.5° | 114.0° |
H4 | C11 | H5 | 109.5° | 109.5° |
H6 | C12 | H7 | 109.4° | 109.5° |
H6 | C12 | H8 | 109.5° | 109.5° |
H7 | C12 | H8 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C12 | C11 | C10 | H4 | 120.4° | 120.0° |
C12 | C11 | C10 | H5 | 120.4° | 120.0° |
C12 | C11 | C10 | C13 | 126.9° | 90.0° |
C12 | C11 | C10 | C09 | 53.1° | 90.6° |
C12 | C11 | H4 | H5 | 118.8° | 120.0° |
C11 | C12 | H6 | H7 | 120.0° | 120.0° |
C11 | C12 | H6 | H8 | 120.0° | 120.0° |
C11 | C12 | H7 | H8 | 120.0° | 119.9° |
C11 | C10 | C13 | C09 | 180.0° | 179.4° |
C11 | C10 | C13 | C06 | 179.8° | 180.0° |
C11 | C10 | C09 | C08 | 179.9° | 179.7° |
C11 | C10 | C09 | H3 | 0.1° | 0.3° |
C10 | C11 | H4 | H5 | 118.8° | 120.0° |
C10 | C11 | C12 | H6 | 180.0° | 60.0° |
C10 | C11 | C12 | H7 | 60.0° | 180.0° |
C10 | C11 | C12 | H8 | 60.0° | 60.0° |
C11 | C10 | C13 | H9 | 0.2° | 0.6° |
C10 | C13 | C06 | H9 | 180.0° | 179.4° |
C13 | C10 | C09 | C08 | 0.1° | 0.3° |
C10 | C13 | C06 | O05 | 179.5° | 179.7° |
C10 | C13 | C06 | C07 | 0.5° | 0.7° |
C13 | C10 | C09 | H3 | 179.8° | 179.7° |
C13 | C10 | C11 | H4 | 6.5° | 150.0° |
C13 | C10 | C11 | H5 | 112.7° | 30.0° |
C09 | C10 | C13 | C06 | 0.2° | 0.6° |
C10 | C09 | C08 | H3 | 180.0° | 180.0° |
C10 | C09 | C08 | C07 | 0.3° | 0.0° |
C10 | C09 | C08 | H2 | 179.7° | 179.9° |
C09 | C10 | C11 | H4 | 173.5° | 29.4° |
C09 | C10 | C11 | H5 | 67.3° | 149.4° |
C09 | C10 | C13 | H9 | 179.8° | 180.0° |
C13 | C06 | O05 | C07 | 179.1° | 179.6° |
C13 | C06 | O05 | P02 | 125.9° | 90.3° |
C13 | C06 | C07 | C08 | 0.6° | 0.4° |
C13 | C06 | C07 | H1 | 179.4° | 179.8° |
C09 | C08 | C07 | C06 | 0.5° | 0.1° |
C09 | C08 | C07 | H2 | 180.0° | 180.0° |
C09 | C08 | C07 | H1 | 179.5° | 179.9° |
O05 | C06 | C07 | C08 | 179.7° | 180.0° |
C06 | O05 | P02 | O04 | 137.2° | 65.0° |
C06 | O05 | P02 | O01 | 17.4° | 55.0° |
C06 | O05 | P02 | O03 | 103.6° | 175.0° |
O05 | C06 | C07 | H1 | 0.3° | 0.1° |
O05 | C06 | C13 | H9 | 0.5° | 0.3° |
C07 | C06 | O05 | P02 | 55.1° | 90.1° |
C06 | C07 | C08 | H1 | 180.0° | 179.9° |
C06 | C07 | C08 | H2 | 179.5° | 179.9° |
C07 | C06 | C13 | H9 | 179.5° | 180.0° |
O05 | P02 | O04 | O01 | 120.9° | 120.0° |
O05 | P02 | O04 | O03 | 119.5° | 120.0° |
O05 | P02 | O01 | O03 | 120.9° | 120.0° |
O05 | P02 | O03 | H11 | 121.6° | 180.0° |
O05 | P02 | O04 | H10 | 121.0° | 60.0° |
C07 | C08 | C09 | H3 | 179.7° | 180.0° |
O04 | P02 | O01 | O03 | 119.2° | 120.0° |
O04 | P02 | O03 | H11 | 119.2° | 60.0° |
O01 | P02 | O03 | H11 | 0.0° | 60.0° |
O01 | P02 | O04 | H10 | 0.0° | 180.0° |
O03 | P02 | O04 | H10 | 119.6° | 60.0° |
H1 | C07 | C08 | H2 | 0.5° | 0.0° |
H2 | C08 | C09 | H3 | 0.3° | 0.0° |
H4 | C11 | C12 | H6 | 59.6° | 60.0° |
H4 | C11 | C12 | H7 | 60.4° | 60.0° |
H4 | C11 | C12 | H8 | 179.6° | 180.0° |
H5 | C11 | C12 | H6 | 59.7° | 180.0° |
H5 | C11 | C12 | H7 | 179.6° | 59.9° |
H5 | C11 | C12 | H8 | 60.4° | 60.0° |
H6 | C12 | H7 | H8 | 120.0° | 120.0° |