S7P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O13 | P12 | doub | 1.48Å | 1.50Å | |
O14 | P12 | sing | 1.61Å | 1.51Å | |
P12 | O15 | sing | 1.61Å | 1.52Å | |
P12 | O7 | sing | 1.61Å | 1.59Å | |
O7 | C7 | sing | 1.43Å | 1.40Å | |
C7 | C6 | sing | 1.53Å | 1.62Å | |
O6 | C6 | sing | 1.43Å | 1.40Å | |
C6 | C5 | sing | 1.53Å | 1.48Å | |
O5 | C5 | sing | 1.44Å | 1.45Å | |
O5 | C2 | sing | 1.44Å | 1.45Å | |
C5 | C4 | sing | 1.55Å | 1.51Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.44Å | |
C2 | O2 | sing | 1.43Å | 1.36Å | |
C2 | C3 | sing | 1.54Å | 1.51Å | |
C4 | O4 | sing | 1.43Å | 1.49Å | |
C4 | C3 | sing | 1.55Å | 1.48Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
O1 | H1 | sing | 0.97Å | 0.95Å | |
C1 | H2 | sing | 1.09Å | 1.10Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
O2 | H4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
O6 | H7 | sing | 0.97Å | 0.95Å | |
C7 | H8 | sing | 1.09Å | 1.10Å | |
C7 | H9 | sing | 1.09Å | 1.10Å | |
O14 | H10 | sing | 0.97Å | 0.95Å | |
O15 | H11 | sing | 0.97Å | 0.95Å | |
C4 | H12 | sing | 1.09Å | 1.10Å | |
O4 | H13 | sing | 0.97Å | 0.95Å | |
C3 | H14 | sing | 1.09Å | 1.10Å | |
O3 | H15 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O13 | P12 | O14 | 113.2° | 109.5° |
O13 | P12 | O15 | 111.0° | 109.5° |
O13 | P12 | O7 | 104.1° | 109.5° |
O14 | P12 | O15 | 110.7° | 109.5° |
O14 | P12 | O7 | 108.5° | 109.5° |
P12 | O14 | H10 | 109.5° | 114.0° |
O15 | P12 | O7 | 109.1° | 109.4° |
P12 | O15 | H11 | 109.5° | 114.0° |
P12 | O7 | C7 | 120.6° | 123.0° |
O7 | C7 | C6 | 108.9° | 109.5° |
O7 | C7 | H8 | 109.6° | 109.5° |
O7 | C7 | H9 | 109.6° | 109.5° |
C7 | C6 | O6 | 107.8° | 109.5° |
C7 | C6 | C5 | 113.5° | 109.5° |
C7 | C6 | H6 | 107.0° | 109.5° |
C6 | C7 | H8 | 109.6° | 109.5° |
C6 | C7 | H9 | 109.6° | 109.5° |
O6 | C6 | C5 | 110.1° | 109.4° |
O6 | C6 | H6 | 109.7° | 109.5° |
C6 | O6 | H7 | 109.5° | 114.0° |
C6 | C5 | O5 | 107.6° | 110.6° |
C6 | C5 | C4 | 116.3° | 110.6° |
C6 | C5 | H5 | 109.9° | 110.7° |
C5 | C6 | H6 | 108.6° | 109.5° |
C5 | O5 | C2 | 110.2° | 107.0° |
O5 | C5 | C4 | 102.7° | 103.5° |
O5 | C5 | H5 | 110.4° | 110.6° |
O5 | C2 | C1 | 107.2° | 109.9° |
O5 | C2 | O2 | 110.9° | 109.8° |
O5 | C2 | C3 | 102.2° | 107.4° |
C5 | C4 | O4 | 111.4° | 110.9° |
C5 | C4 | C3 | 100.4° | 102.1° |
C4 | C5 | H5 | 109.5° | 110.6° |
C5 | C4 | H12 | 110.7° | 110.9° |
C2 | C1 | O1 | 110.5° | 109.5° |
C1 | C2 | O2 | 111.7° | 109.9° |
C1 | C2 | C3 | 113.9° | 109.9° |
C2 | C1 | H2 | 109.2° | 109.5° |
C2 | C1 | H3 | 109.2° | 109.5° |
C1 | O1 | H1 | 109.5° | 114.1° |
O1 | C1 | H2 | 109.2° | 109.5° |
O1 | C1 | H3 | 109.2° | 109.4° |
O2 | C2 | C3 | 110.5° | 109.9° |
C2 | O2 | H4 | 109.5° | 114.0° |
C2 | C3 | C4 | 102.0° | 104.0° |
C2 | C3 | O3 | 113.3° | 110.5° |
C2 | C3 | H14 | 108.2° | 110.5° |
O4 | C4 | C3 | 111.6° | 110.9° |
O4 | C4 | H12 | 111.0° | 110.8° |
C4 | O4 | H13 | 109.5° | 114.0° |
C4 | C3 | O3 | 114.9° | 110.6° |
C3 | C4 | H12 | 111.2° | 110.8° |
C4 | C3 | H14 | 108.6° | 110.5° |
O3 | C3 | H14 | 109.4° | 110.6° |
C3 | O3 | H15 | 109.5° | 113.9° |
H2 | C1 | H3 | 109.5° | 109.4° |
H8 | C7 | H9 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O13 | P12 | O14 | O15 | 125.3° | 120.0° |
O13 | P12 | O14 | O7 | 115.0° | 120.0° |
O13 | P12 | O15 | O7 | 114.1° | 120.0° |
O13 | P12 | O7 | C7 | 176.1° | 55.0° |
O13 | P12 | O14 | H10 | 0.0° | 60.0° |
O13 | P12 | O15 | H11 | 0.0° | 180.0° |
O14 | P12 | O15 | O7 | 119.4° | 120.0° |
O14 | P12 | O7 | C7 | 55.3° | 175.0° |
O14 | P12 | O15 | H11 | 126.5° | 59.9° |
O15 | P12 | O7 | C7 | 65.3° | 65.0° |
O15 | P12 | O14 | H10 | 125.3° | 60.0° |
P12 | O7 | C7 | C6 | 120.6° | 180.0° |
P12 | O7 | C7 | H8 | 119.5° | 60.0° |
P12 | O7 | C7 | H9 | 0.7° | 60.0° |
O7 | P12 | O14 | H10 | 115.0° | 180.0° |
O7 | P12 | O15 | H11 | 114.1° | 60.1° |
O7 | C7 | C6 | H8 | 119.9° | 120.0° |
O7 | C7 | C6 | H9 | 119.9° | 120.0° |
O7 | C7 | C6 | O6 | 30.2° | 65.0° |
O7 | C7 | C6 | C5 | 152.3° | 175.0° |
O7 | C7 | C6 | H6 | 87.8° | 55.0° |
O7 | C7 | H8 | H9 | 120.2° | 120.0° |
C7 | C6 | O6 | C5 | 124.3° | 120.0° |
C7 | C6 | O6 | H6 | 116.2° | 120.0° |
C7 | C6 | C5 | H6 | 118.9° | 120.0° |
C7 | C6 | C5 | O5 | 53.9° | 61.5° |
C7 | C6 | C5 | C4 | 168.4° | 175.5° |
C7 | C6 | C5 | H5 | 66.4° | 61.5° |
C7 | C6 | O6 | H7 | 180.0° | 60.0° |
C6 | C7 | H8 | H9 | 120.3° | 120.0° |
O6 | C6 | C5 | H6 | 120.2° | 120.0° |
O6 | C6 | C5 | O5 | 174.8° | 178.5° |
O6 | C6 | C5 | C4 | 70.7° | 64.5° |
O6 | C6 | C5 | H5 | 54.5° | 58.5° |
O6 | C6 | C7 | H8 | 89.8° | 175.0° |
O6 | C6 | C7 | H9 | 150.1° | 55.0° |
C6 | C5 | O5 | C4 | 123.3° | 118.5° |
C6 | C5 | O5 | H5 | 120.0° | 123.0° |
C6 | C5 | O5 | C2 | 140.1° | 158.6° |
C6 | C5 | C4 | H5 | 125.4° | 123.0° |
C6 | C5 | C4 | O4 | 85.1° | 86.3° |
C6 | C5 | C4 | C3 | 156.5° | 155.4° |
C5 | C6 | O6 | H7 | 55.7° | 60.0° |
C5 | C6 | C7 | H8 | 32.4° | 55.0° |
C5 | C6 | C7 | H9 | 87.8° | 65.0° |
C6 | C5 | C4 | H12 | 39.0° | 37.3° |
O5 | C5 | C4 | H5 | 117.4° | 118.5° |
C5 | O5 | C2 | C1 | 132.1° | 92.9° |
C5 | O5 | C2 | O2 | 105.7° | 146.1° |
C5 | O5 | C2 | C3 | 12.1° | 26.6° |
O5 | C5 | C4 | O4 | 157.7° | 155.2° |
O5 | C5 | C4 | C3 | 39.3° | 37.0° |
O5 | C5 | C6 | H6 | 65.0° | 58.5° |
O5 | C5 | C4 | H12 | 78.2° | 81.2° |
C2 | O5 | C5 | C4 | 16.8° | 40.1° |
O5 | C2 | C1 | O2 | 121.6° | 121.0° |
O5 | C2 | C1 | C3 | 112.2° | 118.0° |
O5 | C2 | C1 | O1 | 174.3° | 61.7° |
O5 | C2 | O2 | C3 | 112.5° | 118.0° |
O5 | C2 | C3 | C4 | 36.9° | 2.1° |
O5 | C2 | C3 | O3 | 161.0° | 116.6° |
O5 | C2 | C1 | H2 | 54.2° | 58.3° |
O5 | C2 | C1 | H3 | 65.5° | 178.3° |
O5 | C2 | O2 | H4 | 180.0° | 61.8° |
C2 | O5 | C5 | H5 | 100.0° | 78.4° |
O5 | C2 | C3 | H14 | 77.5° | 120.8° |
C5 | C4 | C3 | C2 | 47.1° | 20.8° |
C5 | C4 | O4 | C3 | 111.4° | 112.8° |
C5 | C4 | O4 | H12 | 123.9° | 123.7° |
C5 | C4 | C3 | H12 | 117.2° | 118.2° |
C5 | C4 | C3 | O3 | 170.1° | 139.4° |
C4 | C5 | C6 | H6 | 49.5° | 55.5° |
C5 | C4 | O4 | H13 | 180.0° | 180.0° |
C5 | C4 | C3 | H14 | 67.0° | 97.8° |
C2 | C1 | O1 | H2 | 120.2° | 120.1° |
C2 | C1 | O1 | H3 | 120.1° | 120.0° |
C1 | C2 | O2 | C3 | 128.0° | 121.0° |
C1 | C2 | C3 | C4 | 152.1° | 117.3° |
C1 | C2 | C3 | O3 | 83.7° | 124.0° |
C2 | C1 | O1 | H1 | 180.0° | 180.0° |
C2 | C1 | H2 | H3 | 119.5° | 120.1° |
C1 | C2 | O2 | H4 | 60.5° | 59.2° |
C1 | C2 | C3 | H14 | 37.7° | 1.3° |
O1 | C1 | C2 | O2 | 64.0° | 59.3° |
O1 | C1 | C2 | C3 | 62.1° | 179.7° |
O1 | C1 | H2 | H3 | 119.5° | 119.9° |
O2 | C2 | C3 | C4 | 81.1° | 121.6° |
O2 | C2 | C3 | O3 | 43.0° | 2.9° |
O2 | C2 | C1 | H2 | 175.8° | 179.3° |
O2 | C2 | C1 | H3 | 56.1° | 60.7° |
O2 | C2 | C3 | H14 | 164.5° | 119.8° |
C2 | C3 | C4 | O4 | 165.3° | 139.0° |
C2 | C3 | C4 | O3 | 123.0° | 118.6° |
C2 | C3 | C4 | H14 | 114.1° | 118.6° |
C2 | C3 | O3 | H14 | 120.8° | 122.6° |
C3 | C2 | C1 | H2 | 58.1° | 59.7° |
C3 | C2 | C1 | H3 | 177.8° | 60.4° |
C3 | C2 | O2 | H4 | 67.5° | 179.7° |
C2 | C3 | C4 | H12 | 70.1° | 97.4° |
C2 | C3 | O3 | H15 | 180.0° | 180.0° |
O4 | C4 | C3 | H12 | 124.6° | 123.5° |
O4 | C4 | C3 | O3 | 71.6° | 102.4° |
O4 | C4 | C5 | H5 | 40.3° | 36.7° |
O4 | C4 | C3 | H14 | 51.3° | 20.4° |
C4 | C3 | O3 | H14 | 122.5° | 122.8° |
C3 | C4 | C5 | H5 | 78.0° | 81.5° |
C3 | C4 | O4 | H13 | 68.6° | 67.2° |
C4 | C3 | O3 | H15 | 63.2° | 65.4° |
O3 | C3 | C4 | H12 | 52.9° | 21.2° |
H1 | O1 | C1 | H2 | 59.9° | 60.0° |
H1 | O1 | C1 | H3 | 59.8° | 60.0° |
H5 | C5 | C6 | H6 | 174.7° | 178.5° |
H5 | C5 | C4 | H12 | 164.4° | 160.3° |
H6 | C6 | O6 | H7 | 63.8° | 180.0° |
H6 | C6 | C7 | H8 | 152.3° | 65.1° |
H6 | C6 | C7 | H9 | 32.1° | 175.0° |
H12 | C4 | O4 | H13 | 56.1° | 56.3° |
H12 | C4 | C3 | H14 | 175.8° | 144.0° |
H14 | C3 | O3 | H15 | 59.2° | 57.4° |