TT7
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C2 | sing | 1.43Å | 1.47Å | |
C2 | O5 | sing | 1.43Å | 1.41Å | |
C2 | C1 | sing | 1.53Å | 1.52Å | |
C2 | C3 | sing | 1.54Å | 1.51Å | |
C1 | O1 | sing | 1.43Å | 1.40Å | |
C3 | C4 | sing | 1.55Å | 1.40Å | |
C3 | O3 | sing | 1.43Å | 1.41Å | |
O5 | C5 | sing | 1.44Å | 1.40Å | |
C5 | C4 | sing | 1.55Å | 1.48Å | |
C5 | C6 | sing | 1.53Å | 1.49Å | |
C6 | O6 | sing | 1.43Å | 1.40Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
O4 | P4 | sing | 1.61Å | 1.62Å | |
OP1 | P4 | doub | 1.48Å | 1.50Å | |
P4 | OP2 | sing | 1.61Å | 1.49Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O6 | HO6 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
P4 | OP3 | sing | 1.61Å | 1.59Å | |
OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C2 | O5 | 114.2° | 109.9° |
O2 | C2 | C1 | 109.9° | 109.8° |
O2 | C2 | C3 | 106.2° | 109.8° |
C2 | O2 | HO2 | 109.5° | 114.0° |
O5 | C2 | C1 | 113.5° | 109.8° |
O5 | C2 | C3 | 102.8° | 107.6° |
C2 | O5 | C5 | 108.8° | 110.0° |
C1 | C2 | C3 | 109.6° | 109.8° |
C2 | C1 | O1 | 117.1° | 109.4° |
C2 | C1 | H11 | 107.5° | 109.5° |
C2 | C1 | H12 | 107.5° | 109.5° |
C2 | C3 | C4 | 103.4° | 102.2° |
C2 | C3 | O3 | 114.4° | 110.9° |
C2 | C3 | H3 | 107.7° | 110.8° |
O1 | C1 | H11 | 107.5° | 109.5° |
O1 | C1 | H12 | 107.5° | 109.4° |
C1 | O1 | HO1 | 109.5° | 113.9° |
C4 | C3 | O3 | 112.8° | 110.8° |
C3 | C4 | C5 | 103.1° | 100.9° |
C3 | C4 | O4 | 109.5° | 111.1° |
C4 | C3 | H3 | 109.3° | 110.9° |
C3 | C4 | H4 | 112.6° | 111.2° |
O3 | C3 | H3 | 109.1° | 110.9° |
C3 | O3 | HO3 | 109.5° | 114.0° |
O5 | C5 | C4 | 106.7° | 105.1° |
O5 | C5 | C6 | 110.5° | 110.3° |
O5 | C5 | H5 | 110.5° | 110.3° |
C4 | C5 | C6 | 110.7° | 110.3° |
C5 | C4 | O4 | 107.8° | 111.1° |
C4 | C5 | H5 | 109.3° | 110.3° |
C5 | C4 | H4 | 111.3° | 111.1° |
C5 | C6 | O6 | 114.1° | 109.5° |
C6 | C5 | H5 | 109.2° | 110.3° |
C5 | C6 | H61 | 108.3° | 109.5° |
C5 | C6 | H62 | 108.3° | 109.5° |
O6 | C6 | H61 | 108.3° | 109.5° |
O6 | C6 | H62 | 108.3° | 109.5° |
C6 | O6 | HO6 | 109.5° | 114.0° |
C4 | O4 | P4 | 125.7° | 123.0° |
O4 | C4 | H4 | 112.0° | 111.0° |
O4 | P4 | OP1 | 108.0° | 109.4° |
O4 | P4 | OP2 | 111.6° | 109.5° |
O4 | P4 | OP3 | 107.2° | 109.5° |
OP1 | P4 | OP2 | 110.3° | 109.5° |
OP1 | P4 | OP3 | 112.1° | 109.5° |
P4 | OP2 | HOP2 | 109.5° | 114.0° |
OP2 | P4 | OP3 | 107.7° | 109.5° |
H11 | C1 | H12 | 109.5° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.4° |
P4 | OP3 | HOP3 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C2 | O5 | C1 | 127.1° | 120.9° |
O2 | C2 | O5 | C3 | 114.6° | 119.6° |
O2 | C2 | C1 | C3 | 116.4° | 120.9° |
O2 | C2 | C1 | O1 | 29.3° | 59.3° |
O2 | C2 | C3 | C4 | 83.4° | 98.2° |
O2 | C2 | C3 | O3 | 39.6° | 20.0° |
O2 | C2 | O5 | C5 | 94.1° | 121.2° |
O2 | C2 | C1 | H11 | 150.4° | 60.6° |
O2 | C2 | C1 | H12 | 91.8° | 179.3° |
O2 | C2 | C3 | H3 | 161.0° | 143.6° |
O5 | C2 | C1 | C3 | 114.3° | 118.2° |
O5 | C2 | C1 | O1 | 158.6° | 61.6° |
O5 | C2 | C3 | C4 | 36.8° | 21.4° |
O5 | C2 | C3 | O3 | 159.8° | 139.6° |
C2 | O5 | C5 | C4 | 2.1° | 24.4° |
C2 | O5 | C5 | C6 | 122.4° | 143.3° |
O5 | C2 | C1 | H11 | 80.3° | 178.4° |
O5 | C2 | C1 | H12 | 37.5° | 58.3° |
O5 | C2 | C3 | H3 | 78.8° | 96.8° |
C2 | O5 | C5 | H5 | 116.6° | 94.5° |
O5 | C2 | O2 | HO2 | 180.0° | 61.4° |
C2 | C1 | O1 | H11 | 121.1° | 120.0° |
C2 | C1 | O1 | H12 | 121.1° | 120.0° |
C1 | C2 | C3 | C4 | 157.8° | 141.0° |
C1 | C2 | C3 | O3 | 79.2° | 100.9° |
C1 | C2 | O5 | C5 | 138.8° | 117.9° |
C2 | C1 | H11 | H12 | 116.6° | 120.1° |
C2 | C1 | O1 | HO1 | 180.0° | 180.0° |
C1 | C2 | C3 | H3 | 42.2° | 22.8° |
C1 | C2 | O2 | HO2 | 51.1° | 59.5° |
C3 | C2 | C1 | O1 | 87.1° | 179.8° |
C2 | C3 | C4 | O3 | 124.1° | 118.2° |
C2 | C3 | C4 | H3 | 114.5° | 118.2° |
C2 | C3 | O3 | H3 | 120.6° | 123.6° |
C3 | C2 | O5 | C5 | 20.5° | 1.7° |
C2 | C3 | C4 | C5 | 37.6° | 34.2° |
C2 | C3 | C4 | O4 | 152.2° | 152.0° |
C3 | C2 | C1 | H11 | 34.0° | 60.2° |
C3 | C2 | C1 | H12 | 151.8° | 59.9° |
C2 | C3 | O3 | HO3 | 180.0° | 61.4° |
C2 | C3 | C4 | H4 | 82.5° | 83.8° |
C3 | C2 | O2 | HO2 | 67.5° | 179.6° |
O1 | C1 | H11 | H12 | 116.5° | 120.0° |
C4 | C3 | O3 | H3 | 121.6° | 123.6° |
C3 | C4 | C5 | O5 | 25.8° | 36.5° |
C3 | C4 | C5 | O4 | 115.8° | 117.9° |
C3 | C4 | C5 | H4 | 120.9° | 118.0° |
C3 | C4 | C5 | C6 | 146.0° | 155.4° |
C3 | C4 | O4 | H4 | 125.7° | 124.2° |
C3 | C4 | O4 | P4 | 120.0° | 120.0° |
C4 | C3 | O3 | HO3 | 62.3° | 174.2° |
C3 | C4 | C5 | H5 | 93.6° | 82.5° |
O3 | C3 | C4 | C5 | 161.6° | 152.3° |
O3 | C3 | C4 | O4 | 83.8° | 89.8° |
O3 | C3 | C4 | H4 | 41.6° | 34.4° |
O5 | C5 | C4 | C6 | 120.2° | 118.9° |
O5 | C5 | C4 | H5 | 119.4° | 118.9° |
O5 | C5 | C6 | H5 | 121.7° | 122.1° |
O5 | C5 | C6 | O6 | 63.1° | 66.5° |
O5 | C5 | C4 | O4 | 141.7° | 154.3° |
O5 | C5 | C6 | H61 | 176.2° | 173.5° |
O5 | C5 | C6 | H62 | 57.6° | 53.6° |
O5 | C5 | C4 | H4 | 95.1° | 81.5° |
C4 | C5 | C6 | H5 | 120.4° | 122.2° |
C4 | C5 | C6 | O6 | 179.0° | 177.8° |
C5 | C4 | O4 | H4 | 122.8° | 124.2° |
C5 | C4 | O4 | P4 | 128.4° | 128.4° |
C5 | C4 | C3 | H3 | 76.9° | 84.0° |
C4 | C5 | C6 | H61 | 58.3° | 57.8° |
C4 | C5 | C6 | H62 | 60.3° | 62.1° |
C5 | C6 | O6 | H61 | 120.7° | 120.0° |
C5 | C6 | O6 | H62 | 120.7° | 120.0° |
C6 | C5 | C4 | O4 | 98.2° | 86.7° |
C5 | C6 | H61 | H62 | 117.9° | 120.0° |
C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
C6 | C5 | C4 | H4 | 25.1° | 37.4° |
O6 | C6 | C5 | H5 | 58.6° | 55.7° |
O6 | C6 | H61 | H62 | 117.9° | 120.0° |
C4 | O4 | P4 | OP1 | 142.7° | 55.0° |
C4 | O4 | P4 | OP2 | 21.3° | 65.0° |
O4 | C4 | C3 | H3 | 37.7° | 33.9° |
O4 | C4 | C5 | H5 | 22.2° | 35.4° |
C4 | O4 | P4 | OP3 | 96.4° | 175.0° |
O4 | P4 | OP1 | OP2 | 122.2° | 120.0° |
O4 | P4 | OP1 | OP3 | 117.9° | 120.0° |
O4 | P4 | OP2 | OP3 | 117.4° | 120.0° |
P4 | O4 | C4 | H4 | 5.7° | 4.2° |
O4 | P4 | OP2 | HOP2 | 120.0° | 60.0° |
O4 | P4 | OP3 | HOP3 | 118.3° | 180.0° |
OP1 | P4 | OP2 | OP3 | 122.6° | 120.0° |
OP1 | P4 | OP2 | HOP2 | 0.0° | 180.0° |
OP1 | P4 | OP3 | HOP3 | 0.0° | 60.0° |
OP2 | P4 | OP3 | HOP3 | 121.5° | 60.0° |
H11 | C1 | O1 | HO1 | 58.9° | 59.9° |
H12 | C1 | O1 | HO1 | 58.9° | 60.1° |
H3 | C3 | O3 | HO3 | 59.3° | 62.2° |
H3 | C3 | C4 | H4 | 163.1° | 158.0° |
H5 | C5 | C6 | H61 | 62.1° | 64.3° |
H5 | C5 | C6 | H62 | 179.3° | 175.7° |
H5 | C5 | C4 | H4 | 145.5° | 159.6° |
H61 | C6 | O6 | HO6 | 59.4° | 60.0° |
H62 | C6 | O6 | HO6 | 59.3° | 59.9° |
HOP2 | OP2 | P4 | OP3 | 122.6° | 60.0° |