C0X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O25 | P20 | doub | 1.48Å | 1.47Å | |
C24 | O23 | sing | 1.43Å | 1.42Å | |
P20 | O21 | sing | 1.61Å | 1.69Å | |
P20 | O23 | sing | 1.61Å | 1.68Å | |
P20 | O19 | sing | 1.61Å | 1.67Å | |
O21 | C22 | sing | 1.43Å | 1.42Å | |
O19 | C18 | sing | 1.43Å | 1.40Å | |
C18 | C17 | sing | 1.53Å | 1.54Å | |
O28 | C26 | doub | 1.21Å | 1.26Å | |
C17 | C26 | sing | 1.51Å | 1.55Å | |
C17 | O16 | sing | 1.43Å | 1.43Å | |
C26 | O27 | sing | 1.34Å | 1.27Å | |
O16 | C15 | sing | 1.43Å | 1.41Å | |
C14 | C15 | sing | 1.51Å | 1.56Å | |
C14 | C2 | doub | 1.31Å | 1.34Å | |
C3 | C2 | sing | 1.51Å | 1.56Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C2 | C1 | sing | 1.51Å | 1.53Å | |
C4 | C5 | sing | 1.51Å | 1.56Å | |
C5 | C6 | doub | 1.31Å | 1.36Å | |
C8 | C6 | sing | 1.51Å | 1.55Å | |
C8 | C9 | sing | 1.53Å | 1.53Å | |
C6 | C7 | sing | 1.51Å | 1.53Å | |
C10 | C9 | sing | 1.51Å | 1.56Å | |
C10 | C11 | doub | 1.31Å | 1.32Å | |
C13 | C11 | sing | 1.51Å | 1.51Å | |
C11 | C12 | sing | 1.51Å | 1.52Å | |
C15 | H1 | sing | 1.09Å | 1.10Å | |
C15 | H2 | sing | 1.09Å | 1.10Å | |
C17 | H3 | sing | 1.09Å | 1.10Å | |
C14 | H4 | sing | 1.08Å | 1.08Å | |
C13 | H5 | sing | 1.09Å | 1.10Å | |
C13 | H6 | sing | 1.09Å | 1.10Å | |
C13 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.09Å | 1.10Å | |
C12 | H9 | sing | 1.09Å | 1.10Å | |
C12 | H10 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C4 | H14 | sing | 1.09Å | 1.10Å | |
C4 | H15 | sing | 1.09Å | 1.10Å | |
C7 | H16 | sing | 1.09Å | 1.10Å | |
C7 | H17 | sing | 1.09Å | 1.10Å | |
C7 | H18 | sing | 1.09Å | 1.10Å | |
C8 | H19 | sing | 1.09Å | 1.10Å | |
C8 | H20 | sing | 1.09Å | 1.10Å | |
C9 | H21 | sing | 1.09Å | 1.10Å | |
C9 | H22 | sing | 1.09Å | 1.10Å | |
C24 | H23 | sing | 1.09Å | 1.10Å | |
C24 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C3 | H26 | sing | 1.09Å | 1.10Å | |
C3 | H27 | sing | 1.09Å | 1.10Å | |
C5 | H28 | sing | 1.08Å | 1.08Å | |
C10 | H29 | sing | 1.08Å | 1.08Å | |
C18 | H30 | sing | 1.09Å | 1.10Å | |
C18 | H31 | sing | 1.09Å | 1.10Å | |
C22 | H32 | sing | 1.09Å | 1.10Å | |
C22 | H33 | sing | 1.09Å | 1.10Å | |
C22 | H34 | sing | 1.09Å | 1.10Å | |
O27 | H35 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O25 | P20 | O21 | 112.8° | 109.5° |
O25 | P20 | O23 | 106.5° | 109.4° |
O25 | P20 | O19 | 105.1° | 109.5° |
C24 | O23 | P20 | 123.2° | 123.0° |
O23 | C24 | H23 | 109.5° | 109.5° |
O23 | C24 | H24 | 109.4° | 109.5° |
O23 | C24 | H25 | 109.4° | 109.5° |
O21 | P20 | O23 | 114.7° | 109.5° |
O21 | P20 | O19 | 104.3° | 109.5° |
P20 | O21 | C22 | 123.7° | 123.0° |
O23 | P20 | O19 | 113.2° | 109.5° |
P20 | O19 | C18 | 116.6° | 123.0° |
O21 | C22 | H32 | 109.5° | 109.5° |
O21 | C22 | H33 | 109.5° | 109.5° |
O21 | C22 | H34 | 109.5° | 109.4° |
O19 | C18 | C17 | 104.6° | 109.5° |
O19 | C18 | H30 | 110.7° | 109.4° |
O19 | C18 | H31 | 110.7° | 109.5° |
C18 | C17 | C26 | 112.7° | 109.5° |
C18 | C17 | O16 | 99.4° | 109.5° |
C18 | C17 | H3 | 107.8° | 109.4° |
C17 | C18 | H30 | 110.7° | 109.5° |
C17 | C18 | H31 | 110.7° | 109.5° |
O28 | C26 | C17 | 121.6° | 120.0° |
O28 | C26 | O27 | 117.6° | 120.0° |
C26 | C17 | O16 | 119.5° | 109.5° |
C17 | C26 | O27 | 120.8° | 120.0° |
C26 | C17 | H3 | 107.6° | 109.5° |
C17 | O16 | C15 | 121.2° | 114.0° |
O16 | C17 | H3 | 109.2° | 109.5° |
C26 | O27 | H35 | 109.5° | 117.0° |
O16 | C15 | C14 | 108.8° | 109.5° |
O16 | C15 | H1 | 109.6° | 109.5° |
O16 | C15 | H2 | 109.6° | 109.5° |
C15 | C14 | C2 | 121.5° | 120.0° |
C14 | C15 | H1 | 109.6° | 109.5° |
C14 | C15 | H2 | 109.6° | 109.5° |
C15 | C14 | H4 | 119.3° | 120.0° |
C14 | C2 | C3 | 118.0° | 120.0° |
C14 | C2 | C1 | 121.7° | 120.0° |
C2 | C14 | H4 | 119.3° | 120.0° |
C2 | C3 | C4 | 112.0° | 109.5° |
C3 | C2 | C1 | 120.3° | 120.0° |
C2 | C3 | H26 | 108.8° | 109.5° |
C2 | C3 | H27 | 108.8° | 109.5° |
C3 | C4 | C5 | 108.5° | 109.5° |
C3 | C4 | H14 | 109.7° | 109.5° |
C3 | C4 | H15 | 109.7° | 109.5° |
C4 | C3 | H26 | 108.8° | 109.5° |
C4 | C3 | H27 | 108.8° | 109.5° |
C2 | C1 | H11 | 109.5° | 109.5° |
C2 | C1 | H12 | 109.5° | 109.5° |
C2 | C1 | H13 | 109.4° | 109.5° |
C4 | C5 | C6 | 126.6° | 120.0° |
C5 | C4 | H14 | 109.7° | 109.5° |
C5 | C4 | H15 | 109.7° | 109.5° |
C4 | C5 | H28 | 116.7° | 120.0° |
C5 | C6 | C8 | 111.1° | 120.0° |
C5 | C6 | C7 | 125.5° | 120.0° |
C6 | C5 | H28 | 116.7° | 120.0° |
C6 | C8 | C9 | 114.4° | 109.5° |
C8 | C6 | C7 | 123.3° | 120.0° |
C6 | C8 | H19 | 108.2° | 109.5° |
C6 | C8 | H20 | 108.2° | 109.4° |
C8 | C9 | C10 | 106.7° | 109.5° |
C9 | C8 | H19 | 108.2° | 109.5° |
C9 | C8 | H20 | 108.2° | 109.5° |
C8 | C9 | H21 | 110.2° | 109.5° |
C8 | C9 | H22 | 110.2° | 109.5° |
C6 | C7 | H16 | 109.5° | 109.5° |
C6 | C7 | H17 | 109.5° | 109.5° |
C6 | C7 | H18 | 109.5° | 109.5° |
C9 | C10 | C11 | 119.3° | 120.1° |
C10 | C9 | H21 | 110.2° | 109.5° |
C10 | C9 | H22 | 110.2° | 109.5° |
C9 | C10 | H29 | 120.4° | 119.9° |
C10 | C11 | C13 | 120.6° | 120.0° |
C10 | C11 | C12 | 120.1° | 120.0° |
C11 | C10 | H29 | 120.4° | 120.0° |
C13 | C11 | C12 | 119.2° | 120.0° |
C11 | C13 | H5 | 109.5° | 109.4° |
C11 | C13 | H6 | 109.5° | 109.5° |
C11 | C13 | H7 | 109.5° | 109.5° |
C11 | C12 | H8 | 109.5° | 109.5° |
C11 | C12 | H9 | 109.5° | 109.5° |
C11 | C12 | H10 | 109.4° | 109.5° |
H1 | C15 | H2 | 109.5° | 109.4° |
H5 | C13 | H6 | 109.4° | 109.5° |
H5 | C13 | H7 | 109.5° | 109.5° |
H6 | C13 | H7 | 109.5° | 109.4° |
H8 | C12 | H9 | 109.5° | 109.4° |
H8 | C12 | H10 | 109.4° | 109.4° |
H9 | C12 | H10 | 109.5° | 109.4° |
H11 | C1 | H12 | 109.5° | 109.5° |
H11 | C1 | H13 | 109.5° | 109.4° |
H12 | C1 | H13 | 109.5° | 109.4° |
H14 | C4 | H15 | 109.5° | 109.4° |
H16 | C7 | H17 | 109.5° | 109.4° |
H16 | C7 | H18 | 109.5° | 109.5° |
H17 | C7 | H18 | 109.4° | 109.5° |
H19 | C8 | H20 | 109.4° | 109.4° |
H21 | C9 | H22 | 109.4° | 109.4° |
H23 | C24 | H24 | 109.5° | 109.4° |
H23 | C24 | H25 | 109.5° | 109.5° |
H24 | C24 | H25 | 109.5° | 109.5° |
H26 | C3 | H27 | 109.5° | 109.5° |
H30 | C18 | H31 | 109.4° | 109.5° |
H32 | C22 | H33 | 109.5° | 109.5° |
H32 | C22 | H34 | 109.5° | 109.5° |
H33 | C22 | H34 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O25 | P20 | O23 | C24 | 13.5° | 180.0° |
O25 | P20 | O21 | O23 | 122.2° | 120.0° |
O25 | P20 | O21 | O19 | 113.5° | 120.0° |
O25 | P20 | O23 | O19 | 114.9° | 120.0° |
O25 | P20 | O21 | C22 | 114.7° | 55.0° |
O25 | P20 | O19 | C18 | 95.6° | 55.0° |
C24 | O23 | P20 | O21 | 139.0° | 60.0° |
C24 | O23 | P20 | O19 | 101.5° | 60.0° |
O23 | C24 | H23 | H24 | 120.0° | 120.0° |
O23 | C24 | H23 | H25 | 120.0° | 120.0° |
O23 | C24 | H24 | H25 | 119.9° | 120.0° |
O21 | P20 | O23 | O19 | 119.6° | 120.0° |
O21 | P20 | O19 | C18 | 145.5° | 175.0° |
P20 | O21 | C22 | H32 | 180.0° | 60.0° |
P20 | O21 | C22 | H33 | 60.0° | 60.1° |
P20 | O21 | C22 | H34 | 60.0° | 180.0° |
O23 | P20 | O21 | C22 | 123.2° | 65.0° |
O23 | P20 | O19 | C18 | 20.1° | 65.0° |
P20 | O23 | C24 | H23 | 180.0° | 60.0° |
P20 | O23 | C24 | H24 | 60.0° | 60.0° |
P20 | O23 | C24 | H25 | 60.0° | 180.0° |
O19 | P20 | O21 | C22 | 1.2° | 175.0° |
P20 | O19 | C18 | C17 | 87.5° | 180.0° |
P20 | O19 | C18 | H30 | 31.8° | 60.0° |
P20 | O19 | C18 | H31 | 153.3° | 60.0° |
O21 | C22 | H32 | H33 | 120.0° | 120.1° |
O21 | C22 | H32 | H34 | 120.0° | 119.9° |
O21 | C22 | H33 | H34 | 120.0° | 119.9° |
O19 | C18 | C17 | H30 | 119.2° | 120.0° |
O19 | C18 | C17 | H31 | 119.2° | 120.0° |
O19 | C18 | C17 | C26 | 127.6° | 55.0° |
O19 | C18 | C17 | O16 | 104.8° | 65.0° |
O19 | C18 | C17 | H3 | 9.0° | 175.0° |
O19 | C18 | H30 | H31 | 122.2° | 120.0° |
C18 | C17 | C26 | O28 | 28.3° | 120.0° |
C18 | C17 | C26 | O16 | 116.1° | 120.0° |
C18 | C17 | C26 | H3 | 118.7° | 120.0° |
C18 | C17 | O16 | H3 | 112.7° | 120.0° |
C18 | C17 | C26 | O27 | 149.8° | 60.0° |
C18 | C17 | O16 | C15 | 132.8° | 150.0° |
C17 | C18 | H30 | H31 | 122.2° | 120.0° |
O28 | C26 | C17 | O27 | 178.2° | 180.0° |
O28 | C26 | C17 | O16 | 87.8° | 0.0° |
O28 | C26 | C17 | H3 | 147.0° | 120.0° |
O28 | C26 | O27 | H35 | 0.0° | 0.0° |
C26 | C17 | O16 | H3 | 124.4° | 120.0° |
C26 | C17 | O16 | C15 | 9.9° | 90.0° |
C26 | C17 | C18 | H30 | 8.4° | 65.0° |
C26 | C17 | C18 | H31 | 113.1° | 175.0° |
C17 | C26 | O27 | H35 | 178.2° | 180.0° |
O16 | C17 | C26 | O27 | 94.0° | 180.0° |
C17 | O16 | C15 | C14 | 81.1° | 180.0° |
C17 | O16 | C15 | H1 | 159.1° | 59.9° |
C17 | O16 | C15 | H2 | 38.8° | 60.0° |
O16 | C17 | C18 | H30 | 136.0° | 175.0° |
O16 | C17 | C18 | H31 | 14.5° | 54.9° |
O27 | C26 | C17 | H3 | 31.1° | 60.0° |
O16 | C15 | C14 | H1 | 119.9° | 120.0° |
O16 | C15 | C14 | H2 | 119.9° | 120.0° |
O16 | C15 | C14 | C2 | 147.8° | 135.3° |
O16 | C15 | H1 | H2 | 120.3° | 120.0° |
C15 | O16 | C17 | H3 | 114.5° | 30.0° |
O16 | C15 | C14 | H4 | 32.2° | 44.7° |
C15 | C14 | C2 | H4 | 180.0° | 180.0° |
C15 | C14 | C2 | C3 | 179.8° | 174.1° |
C15 | C14 | C2 | C1 | 0.3° | 5.9° |
C14 | C15 | H1 | H2 | 120.3° | 120.0° |
C14 | C2 | C3 | C1 | 179.5° | 180.0° |
C14 | C2 | C3 | C4 | 115.9° | 95.0° |
C2 | C14 | C15 | H1 | 92.3° | 15.3° |
C2 | C14 | C15 | H2 | 27.9° | 104.7° |
C14 | C2 | C1 | H11 | 180.0° | 84.8° |
C14 | C2 | C1 | H12 | 60.0° | 155.2° |
C14 | C2 | C1 | H13 | 60.0° | 35.2° |
C14 | C2 | C3 | H26 | 123.7° | 145.0° |
C14 | C2 | C3 | H27 | 4.4° | 25.0° |
C2 | C3 | C4 | H26 | 120.4° | 120.0° |
C2 | C3 | C4 | H27 | 120.4° | 120.0° |
C2 | C3 | C4 | C5 | 60.8° | 180.0° |
C3 | C2 | C14 | H4 | 0.2° | 5.9° |
C3 | C2 | C1 | H11 | 0.5° | 95.2° |
C3 | C2 | C1 | H12 | 120.5° | 24.8° |
C3 | C2 | C1 | H13 | 119.5° | 144.8° |
C2 | C3 | C4 | H14 | 59.1° | 60.0° |
C2 | C3 | C4 | H15 | 179.4° | 60.0° |
C2 | C3 | H26 | H27 | 118.9° | 120.0° |
C4 | C3 | C2 | C1 | 64.5° | 85.0° |
C3 | C4 | C5 | H14 | 119.8° | 120.0° |
C3 | C4 | C5 | H15 | 119.9° | 120.1° |
C3 | C4 | C5 | C6 | 106.0° | 125.7° |
C3 | C4 | H14 | H15 | 120.5° | 120.0° |
C4 | C3 | H26 | H27 | 118.8° | 120.0° |
C3 | C4 | C5 | H28 | 74.0° | 54.3° |
C1 | C2 | C14 | H4 | 179.7° | 174.1° |
C2 | C1 | H11 | H12 | 120.0° | 120.1° |
C2 | C1 | H11 | H13 | 120.0° | 120.0° |
C2 | C1 | H12 | H13 | 120.0° | 120.0° |
C1 | C2 | C3 | H26 | 55.8° | 35.0° |
C1 | C2 | C3 | H27 | 175.1° | 155.0° |
C4 | C5 | C6 | H28 | 180.0° | 180.0° |
C4 | C5 | C6 | C8 | 179.7° | 173.4° |
C4 | C5 | C6 | C7 | 0.7° | 6.5° |
C5 | C4 | H14 | H15 | 120.4° | 120.0° |
C5 | C4 | C3 | H26 | 178.8° | 60.0° |
C5 | C4 | C3 | H27 | 59.6° | 60.0° |
C5 | C6 | C8 | C7 | 179.0° | 180.0° |
C5 | C6 | C8 | C9 | 178.1° | 95.0° |
C6 | C5 | C4 | H14 | 13.8° | 5.7° |
C6 | C5 | C4 | H15 | 134.1° | 114.2° |
C5 | C6 | C7 | H16 | 180.0° | 85.2° |
C5 | C6 | C7 | H17 | 60.0° | 34.8° |
C5 | C6 | C7 | H18 | 60.0° | 154.8° |
C5 | C6 | C8 | H19 | 61.2° | 145.0° |
C5 | C6 | C8 | H20 | 57.4° | 25.0° |
C6 | C8 | C9 | H19 | 120.8° | 120.1° |
C6 | C8 | C9 | H20 | 120.7° | 120.0° |
C6 | C8 | C9 | C10 | 169.0° | 180.0° |
C8 | C6 | C7 | H16 | 1.2° | 94.8° |
C8 | C6 | C7 | H17 | 118.9° | 145.3° |
C8 | C6 | C7 | H18 | 121.2° | 25.3° |
C6 | C8 | H19 | H20 | 117.8° | 119.9° |
C6 | C8 | C9 | H21 | 49.4° | 59.9° |
C6 | C8 | C9 | H22 | 71.4° | 60.0° |
C8 | C6 | C5 | H28 | 0.3° | 6.6° |
C9 | C8 | C6 | C7 | 0.9° | 85.0° |
C8 | C9 | C10 | H21 | 119.6° | 120.0° |
C8 | C9 | C10 | H22 | 119.6° | 120.0° |
C8 | C9 | C10 | C11 | 178.4° | 125.0° |
C9 | C8 | H19 | H20 | 117.7° | 120.0° |
C8 | C9 | H21 | H22 | 121.3° | 120.0° |
C8 | C9 | C10 | H29 | 1.6° | 55.0° |
C6 | C7 | H16 | H17 | 120.0° | 120.0° |
C6 | C7 | H16 | H18 | 120.0° | 120.0° |
C6 | C7 | H17 | H18 | 120.0° | 120.0° |
C7 | C6 | C8 | H19 | 119.8° | 35.1° |
C7 | C6 | C8 | H20 | 121.6° | 155.0° |
C7 | C6 | C5 | H28 | 179.3° | 173.5° |
C9 | C10 | C11 | H29 | 180.0° | 180.0° |
C9 | C10 | C11 | C13 | 179.5° | 0.0° |
C9 | C10 | C11 | C12 | 1.2° | 180.0° |
C10 | C9 | C8 | H19 | 70.2° | 60.0° |
C10 | C9 | C8 | H20 | 48.3° | 60.0° |
C10 | C9 | H21 | H22 | 121.3° | 120.0° |
C10 | C11 | C13 | C12 | 178.2° | 180.0° |
C10 | C11 | C13 | H5 | 180.0° | 60.0° |
C10 | C11 | C13 | H6 | 60.0° | 180.0° |
C10 | C11 | C13 | H7 | 60.0° | 60.0° |
C10 | C11 | C12 | H8 | 180.0° | 90.0° |
C10 | C11 | C12 | H9 | 60.0° | 30.0° |
C10 | C11 | C12 | H10 | 60.0° | 150.0° |
C11 | C10 | C9 | H21 | 62.0° | 5.0° |
C11 | C10 | C9 | H22 | 58.8° | 115.0° |
C11 | C13 | H5 | H6 | 120.0° | 120.0° |
C11 | C13 | H5 | H7 | 120.0° | 120.0° |
C11 | C13 | H6 | H7 | 120.0° | 120.0° |
C13 | C11 | C12 | H8 | 1.8° | 90.0° |
C13 | C11 | C12 | H9 | 118.2° | 150.0° |
C13 | C11 | C12 | H10 | 121.8° | 30.0° |
C13 | C11 | C10 | H29 | 0.5° | 180.0° |
C12 | C11 | C13 | H5 | 1.8° | 120.1° |
C12 | C11 | C13 | H6 | 121.8° | 0.0° |
C12 | C11 | C13 | H7 | 118.2° | 120.0° |
C11 | C12 | H8 | H9 | 120.0° | 120.0° |
C11 | C12 | H8 | H10 | 120.0° | 120.1° |
C11 | C12 | H9 | H10 | 120.0° | 120.1° |
C12 | C11 | C10 | H29 | 178.7° | 0.0° |
H1 | C15 | C14 | H4 | 87.7° | 164.7° |
H2 | C15 | C14 | H4 | 152.1° | 75.3° |
H3 | C17 | C18 | H30 | 110.2° | 55.0° |
H3 | C17 | C18 | H31 | 128.2° | 65.0° |
H5 | C13 | H6 | H7 | 120.0° | 120.0° |
H8 | C12 | H9 | H10 | 120.0° | 119.9° |
H11 | C1 | H12 | H13 | 120.0° | 119.9° |
H14 | C4 | C3 | H26 | 61.3° | 180.0° |
H14 | C4 | C3 | H27 | 179.4° | 60.0° |
H14 | C4 | C5 | H28 | 166.2° | 174.3° |
H15 | C4 | C3 | H26 | 59.0° | 60.0° |
H15 | C4 | C3 | H27 | 60.3° | 180.0° |
H15 | C4 | C5 | H28 | 45.9° | 65.8° |
H16 | C7 | H17 | H18 | 120.0° | 120.0° |
H19 | C8 | C9 | H21 | 170.2° | NaN° |
H19 | C8 | C9 | H22 | 49.4° | 60.0° |
H20 | C8 | C9 | H21 | 71.3° | 60.0° |
H20 | C8 | C9 | H22 | 167.9° | 180.0° |
H21 | C9 | C10 | H29 | 118.0° | 175.0° |
H22 | C9 | C10 | H29 | 121.2° | 65.1° |
H23 | C24 | H24 | H25 | 120.0° | 120.0° |
H32 | C22 | H33 | H34 | 120.0° | 120.1° |