FSG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1P | P | doub | 1.48Å | 1.50Å | |
P | O3P | sing | 1.61Å | 1.51Å | |
P | O2P | sing | 1.61Å | 1.51Å | |
P | C1 | sing | 1.82Å | 1.82Å | |
O3P | HO3P | sing | 0.97Å | 0.95Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
C1 | F | sing | 1.40Å | 1.37Å | |
C1 | C2 | sing | 1.51Å | 1.50Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | O2 | doub | 1.21Å | 1.23Å | |
C2 | N3 | sing | 1.35Å | 1.33Å | |
N3 | O3 | sing | 1.42Å | 1.39Å | |
N3 | HN3 | sing | 0.97Å | 1.00Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1P | P | O3P | 114.1° | 109.5° |
O1P | P | O2P | 114.7° | 109.5° |
O1P | P | C1 | 105.4° | 109.4° |
O3P | P | O2P | 112.7° | 109.5° |
O3P | P | C1 | 104.2° | 109.5° |
P | O3P | HO3P | 109.5° | 114.0° |
O2P | P | C1 | 104.2° | 109.5° |
P | O2P | HO2P | 109.5° | 114.0° |
P | C1 | F | 109.4° | 109.5° |
P | C1 | C2 | 111.0° | 109.5° |
P | C1 | H1 | 108.4° | 109.5° |
F | C1 | C2 | 109.2° | 109.5° |
F | C1 | H1 | 110.2° | 109.4° |
C2 | C1 | H1 | 108.6° | 109.4° |
C1 | C2 | O2 | 121.3° | 120.0° |
C1 | C2 | N3 | 115.5° | 120.0° |
O2 | C2 | N3 | 123.1° | 120.0° |
C2 | N3 | O3 | 120.4° | 120.0° |
C2 | N3 | HN3 | 119.8° | 120.0° |
O3 | N3 | HN3 | 119.8° | 120.0° |
N3 | O3 | HO3 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O3P | O2P | 133.2° | 120.0° |
O1P | P | O3P | C1 | 114.5° | 120.0° |
O1P | P | O2P | C1 | 114.8° | 120.0° |
O1P | P | O3P | HO3P | 71.1° | 60.0° |
O1P | P | O2P | HO2P | 99.8° | 180.0° |
O1P | P | C1 | F | 164.8° | 60.0° |
O1P | P | C1 | C2 | 74.7° | 60.0° |
O1P | P | C1 | H1 | 44.5° | 180.0° |
O3P | P | O2P | C1 | 112.4° | 120.0° |
O3P | P | O2P | HO2P | 33.0° | 60.0° |
O3P | P | C1 | F | 44.3° | 60.0° |
O3P | P | C1 | C2 | 164.8° | 180.0° |
O3P | P | C1 | H1 | 76.0° | 60.0° |
O2P | P | O3P | HO3P | 155.8° | 60.0° |
O2P | P | C1 | F | 74.1° | 180.0° |
O2P | P | C1 | C2 | 46.5° | 60.0° |
O2P | P | C1 | H1 | 165.7° | 60.0° |
C1 | P | O3P | HO3P | 43.4° | 180.0° |
C1 | P | O2P | HO2P | 145.4° | 60.0° |
P | C1 | F | C2 | 121.6° | 120.0° |
P | C1 | F | H1 | 119.1° | 120.0° |
P | C1 | C2 | H1 | 119.1° | 120.0° |
P | C1 | C2 | O2 | 81.9° | 55.0° |
P | C1 | C2 | N3 | 98.2° | 125.0° |
F | C1 | C2 | H1 | 120.2° | 119.9° |
F | C1 | C2 | O2 | 38.7° | 65.0° |
F | C1 | C2 | N3 | 141.1° | 115.0° |
C1 | C2 | O2 | N3 | 179.9° | 180.0° |
C1 | C2 | N3 | O3 | 179.6° | 180.0° |
C1 | C2 | N3 | HN3 | 0.4° | 0.0° |
H1 | C1 | C2 | O2 | 159.0° | 175.0° |
H1 | C1 | C2 | N3 | 20.9° | 4.9° |
O2 | C2 | N3 | O3 | 0.5° | 0.0° |
O2 | C2 | N3 | HN3 | 179.5° | 180.0° |
C2 | N3 | O3 | HN3 | 180.0° | 180.0° |
C2 | N3 | O3 | HO3 | 43.5° | 180.0° |
HN3 | N3 | O3 | HO3 | 136.5° | 0.0° |