10Y
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C16 | C15 | doub | 1.31Å | 1.36Å | |
C16 | C17 | sing | 1.51Å | 1.53Å | |
C15 | C14 | sing | 1.51Å | 1.53Å | |
C18 | C17 | sing | 1.53Å | 1.53Å | |
C14 | C13 | sing | 1.53Å | 1.53Å | |
C13 | O3 | sing | 1.43Å | 1.44Å | |
C13 | C12 | sing | 1.53Å | 1.50Å | |
O3 | C12 | sing | 1.43Å | 1.45Å | |
C12 | C11 | sing | 1.53Å | 1.53Å | |
C11 | C10 | sing | 1.51Å | 1.53Å | |
C10 | C9 | doub | 1.31Å | 1.36Å | |
C9 | C8 | sing | 1.51Å | 1.53Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | C6 | sing | 1.53Å | 1.53Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C4 | sing | 1.53Å | 1.53Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
O1 | C1 | doub | 1.21Å | 1.26Å | |
C2 | C1 | sing | 1.51Å | 1.53Å | |
C1 | O2 | sing | 1.34Å | 1.27Å | |
O2 | H1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C2 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H4 | sing | 1.09Å | 1.10Å | |
C3 | H5 | sing | 1.09Å | 1.10Å | |
C4 | H6 | sing | 1.09Å | 1.10Å | |
C4 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H8 | sing | 1.09Å | 1.10Å | |
C5 | H9 | sing | 1.09Å | 1.10Å | |
C6 | H10 | sing | 1.09Å | 1.10Å | |
C6 | H11 | sing | 1.09Å | 1.10Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
C8 | H14 | sing | 1.09Å | 1.10Å | |
C8 | H15 | sing | 1.09Å | 1.10Å | |
C9 | H16 | sing | 1.08Å | 1.08Å | |
C10 | H17 | sing | 1.08Å | 1.08Å | |
C11 | H18 | sing | 1.09Å | 1.10Å | |
C11 | H19 | sing | 1.09Å | 1.10Å | |
C12 | H20 | sing | 1.09Å | 1.10Å | |
C13 | H21 | sing | 1.09Å | 1.10Å | |
C14 | H22 | sing | 1.09Å | 1.10Å | |
C14 | H23 | sing | 1.09Å | 1.10Å | |
C15 | H24 | sing | 1.08Å | 1.08Å | |
C16 | H25 | sing | 1.08Å | 1.08Å | |
C17 | H26 | sing | 1.09Å | 1.10Å | |
C17 | H27 | sing | 1.09Å | 1.10Å | |
C18 | H28 | sing | 1.09Å | 1.10Å | |
C18 | H29 | sing | 1.09Å | 1.10Å | |
C18 | H30 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C15 | C16 | C17 | 119.2° | 120.0° |
C16 | C15 | C14 | 119.5° | 120.0° |
C16 | C15 | H24 | 120.2° | 120.0° |
C15 | C16 | H25 | 120.4° | 120.0° |
C16 | C17 | C18 | 109.3° | 109.4° |
C17 | C16 | H25 | 120.4° | 120.0° |
C16 | C17 | H26 | 109.5° | 109.5° |
C16 | C17 | H27 | 109.5° | 109.5° |
C15 | C14 | C13 | 106.9° | 109.4° |
C15 | C14 | H22 | 110.1° | 109.5° |
C15 | C14 | H23 | 110.1° | 109.4° |
C14 | C15 | H24 | 120.3° | 120.0° |
C18 | C17 | H26 | 109.5° | 109.4° |
C18 | C17 | H27 | 109.5° | 109.5° |
C17 | C18 | H28 | 109.5° | 109.5° |
C17 | C18 | H29 | 109.5° | 109.5° |
C17 | C18 | H30 | 109.5° | 109.5° |
C14 | C13 | O3 | 114.8° | 117.7° |
C14 | C13 | C12 | 117.1° | 117.7° |
C14 | C13 | H21 | 117.0° | 115.8° |
C13 | C14 | H22 | 110.1° | 109.5° |
C13 | C14 | H23 | 110.1° | 109.5° |
O3 | C13 | C12 | 58.9° | 57.6° |
C13 | O3 | C12 | 62.6° | 64.7° |
O3 | C13 | H21 | 118.8° | 117.8° |
C13 | C12 | O3 | 58.5° | 57.7° |
C13 | C12 | C11 | 115.3° | 117.8° |
C13 | C12 | H20 | 118.4° | 117.8° |
C12 | C13 | H21 | 117.5° | 117.8° |
O3 | C12 | C11 | 113.8° | 117.8° |
O3 | C12 | H20 | 119.5° | 117.8° |
C12 | C11 | C10 | 108.1° | 109.5° |
C12 | C11 | H18 | 109.8° | 109.5° |
C12 | C11 | H19 | 109.8° | 109.4° |
C11 | C12 | H20 | 117.9° | 115.7° |
C11 | C10 | C9 | 118.7° | 120.0° |
C11 | C10 | H17 | 120.7° | 120.0° |
C10 | C11 | H18 | 109.8° | 109.5° |
C10 | C11 | H19 | 109.8° | 109.5° |
C10 | C9 | C8 | 119.9° | 120.0° |
C10 | C9 | H16 | 120.1° | 120.0° |
C9 | C10 | H17 | 120.6° | 120.0° |
C9 | C8 | C7 | 109.7° | 109.4° |
C9 | C8 | H14 | 109.4° | 109.5° |
C9 | C8 | H15 | 109.4° | 109.5° |
C8 | C9 | H16 | 120.0° | 120.0° |
C8 | C7 | C6 | 109.1° | 109.5° |
C8 | C7 | H12 | 109.6° | 109.5° |
C8 | C7 | H13 | 109.6° | 109.5° |
C7 | C8 | H14 | 109.4° | 109.5° |
C7 | C8 | H15 | 109.4° | 109.4° |
C7 | C6 | C5 | 109.8° | 109.5° |
C7 | C6 | H10 | 109.4° | 109.5° |
C7 | C6 | H11 | 109.4° | 109.4° |
C6 | C7 | H12 | 109.6° | 109.5° |
C6 | C7 | H13 | 109.6° | 109.4° |
C6 | C5 | C4 | 109.4° | 109.4° |
C6 | C5 | H8 | 109.5° | 109.5° |
C6 | C5 | H9 | 109.5° | 109.4° |
C5 | C6 | H10 | 109.4° | 109.5° |
C5 | C6 | H11 | 109.4° | 109.5° |
C5 | C4 | C3 | 108.2° | 109.4° |
C5 | C4 | H6 | 109.8° | 109.5° |
C5 | C4 | H7 | 109.8° | 109.5° |
C4 | C5 | H8 | 109.5° | 109.5° |
C4 | C5 | H9 | 109.5° | 109.5° |
C4 | C3 | C2 | 109.3° | 109.5° |
C4 | C3 | H4 | 109.5° | 109.5° |
C4 | C3 | H5 | 109.5° | 109.5° |
C3 | C4 | H6 | 109.8° | 109.5° |
C3 | C4 | H7 | 109.8° | 109.4° |
C3 | C2 | C1 | 109.1° | 109.5° |
C3 | C2 | H2 | 109.6° | 109.5° |
C3 | C2 | H3 | 109.6° | 109.5° |
C2 | C3 | H4 | 109.5° | 109.4° |
C2 | C3 | H5 | 109.5° | 109.5° |
O1 | C1 | C2 | 116.5° | 120.0° |
O1 | C1 | O2 | 126.3° | 120.0° |
C2 | C1 | O2 | 117.2° | 120.0° |
C1 | C2 | H2 | 109.5° | 109.4° |
C1 | C2 | H3 | 109.6° | 109.5° |
C1 | O2 | H1 | 109.5° | 117.0° |
H2 | C2 | H3 | 109.5° | 109.5° |
H4 | C3 | H5 | 109.5° | 109.5° |
H6 | C4 | H7 | 109.5° | 109.5° |
H8 | C5 | H9 | 109.4° | 109.5° |
H10 | C6 | H11 | 109.5° | 109.5° |
H12 | C7 | H13 | 109.5° | 109.4° |
H14 | C8 | H15 | 109.5° | 109.5° |
H18 | C11 | H19 | 109.5° | 109.5° |
H22 | C14 | H23 | 109.5° | 109.5° |
H26 | C17 | H27 | 109.5° | 109.5° |
H28 | C18 | H29 | 109.5° | 109.4° |
H28 | C18 | H30 | 109.5° | 109.4° |
H29 | C18 | H30 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C15 | C16 | C17 | H25 | 180.0° | 179.9° |
C16 | C15 | C14 | H24 | 180.0° | 179.9° |
C15 | C16 | C17 | C18 | 129.3° | 126.4° |
C16 | C15 | C14 | C13 | 107.1° | 127.7° |
C16 | C15 | C14 | H22 | 12.5° | 7.6° |
C16 | C15 | C14 | H23 | 133.3° | 112.4° |
C15 | C16 | C17 | H26 | 110.8° | 113.7° |
C15 | C16 | C17 | H27 | 9.3° | 6.4° |
C17 | C16 | C15 | C14 | 5.5° | 7.5° |
C16 | C17 | C18 | H26 | 120.0° | 120.0° |
C16 | C17 | C18 | H27 | 120.0° | 120.0° |
C17 | C16 | C15 | H24 | 174.5° | 172.4° |
C16 | C17 | H26 | H27 | 120.1° | 120.0° |
C16 | C17 | C18 | H28 | 180.0° | 60.0° |
C16 | C17 | C18 | H29 | 60.0° | 60.0° |
C16 | C17 | C18 | H30 | 60.0° | 179.9° |
C15 | C14 | C13 | H22 | 119.6° | 120.0° |
C15 | C14 | C13 | H23 | 119.6° | 119.9° |
C15 | C14 | C13 | O3 | 132.7° | 116.4° |
C15 | C14 | C13 | C12 | 161.1° | 177.6° |
C15 | C14 | C13 | H21 | 13.5° | 30.6° |
C15 | C14 | H22 | H23 | 121.2° | 120.0° |
C14 | C15 | C16 | H25 | 174.5° | 172.5° |
C18 | C17 | C16 | H25 | 50.7° | 53.7° |
C18 | C17 | H26 | H27 | 120.1° | 120.0° |
C17 | C18 | H28 | H29 | 120.0° | 120.1° |
C17 | C18 | H28 | H30 | 120.0° | 120.0° |
C17 | C18 | H29 | H30 | 120.0° | 120.1° |
C14 | C13 | O3 | C12 | 107.9° | 106.8° |
C14 | C13 | O3 | H21 | 145.6° | 146.4° |
C14 | C13 | C12 | H21 | 147.4° | 146.4° |
C14 | C13 | C12 | C11 | 0.4° | 0.0° |
C14 | C13 | C12 | H20 | 147.0° | 146.4° |
C13 | C14 | H22 | H23 | 121.2° | 120.0° |
C13 | C14 | C15 | H24 | 72.9° | 52.4° |
O3 | C13 | C12 | H21 | 108.6° | 106.8° |
O3 | C13 | C12 | C11 | 103.6° | 106.8° |
O3 | C13 | C12 | H20 | 109.0° | 106.8° |
O3 | C13 | C14 | H22 | 107.8° | 3.6° |
O3 | C13 | C14 | H23 | 13.1° | 123.6° |
C13 | C12 | C11 | H20 | 147.6° | 147.0° |
C13 | C12 | C11 | C10 | 107.7° | 176.4° |
C13 | C12 | C11 | H18 | 12.0° | 63.6° |
C13 | C12 | C11 | H19 | 132.5° | 56.4° |
C12 | C13 | C14 | H22 | 41.5° | 62.4° |
C12 | C13 | C14 | H23 | 79.3° | 57.7° |
O3 | C12 | C11 | H20 | 147.4° | 146.9° |
O3 | C12 | C11 | C10 | 172.7° | 117.5° |
O3 | C12 | C11 | H18 | 52.9° | 2.5° |
O3 | C12 | C11 | H19 | 67.5° | 122.5° |
C12 | C11 | C10 | H18 | 119.8° | 120.0° |
C12 | C11 | C10 | H19 | 119.8° | 119.9° |
C12 | C11 | C10 | C9 | 123.3° | 126.3° |
C12 | C11 | C10 | H17 | 56.7° | 53.7° |
C12 | C11 | H18 | H19 | 120.6° | 119.9° |
C11 | C12 | C13 | H21 | 147.8° | 146.3° |
C11 | C10 | C9 | H17 | 180.0° | 180.0° |
C11 | C10 | C9 | C8 | 3.5° | 7.5° |
C11 | C10 | C9 | H16 | 176.5° | 172.5° |
C10 | C11 | H18 | H19 | 120.6° | 120.1° |
C10 | C11 | C12 | H20 | 39.9° | 29.4° |
C10 | C9 | C8 | H16 | 180.0° | 180.0° |
C10 | C9 | C8 | C7 | 72.4° | 127.6° |
C10 | C9 | C8 | H14 | 47.6° | 7.6° |
C10 | C9 | C8 | H15 | 167.6° | 112.4° |
C9 | C10 | C11 | H18 | 116.9° | 113.7° |
C9 | C10 | C11 | H19 | 3.5° | 6.4° |
C9 | C8 | C7 | H14 | 120.0° | 120.0° |
C9 | C8 | C7 | H15 | 120.0° | 120.0° |
C9 | C8 | C7 | C6 | 149.2° | 180.0° |
C9 | C8 | C7 | H12 | 29.3° | 60.0° |
C9 | C8 | C7 | H13 | 90.8° | 60.0° |
C9 | C8 | H14 | H15 | 119.9° | 120.1° |
C8 | C9 | C10 | H17 | 176.5° | 172.5° |
C8 | C7 | C6 | H12 | 119.9° | 120.1° |
C8 | C7 | C6 | H13 | 119.9° | 120.0° |
C8 | C7 | C6 | C5 | 87.6° | 180.0° |
C8 | C7 | C6 | H10 | 32.4° | 60.0° |
C8 | C7 | C6 | H11 | 152.3° | 60.0° |
C8 | C7 | H12 | H13 | 120.2° | 120.0° |
C7 | C8 | H14 | H15 | 119.9° | 120.0° |
C7 | C8 | C9 | H16 | 107.6° | 52.4° |
C7 | C6 | C5 | H10 | 120.0° | 120.0° |
C7 | C6 | C5 | H11 | 120.1° | 120.0° |
C7 | C6 | C5 | C4 | 99.1° | 180.0° |
C7 | C6 | C5 | H8 | 140.9° | 60.0° |
C7 | C6 | C5 | H9 | 20.9° | 60.0° |
C7 | C6 | H10 | H11 | 119.9° | 120.0° |
C6 | C7 | H12 | H13 | 120.2° | 119.9° |
C6 | C7 | C8 | H14 | 90.8° | 60.0° |
C6 | C7 | C8 | H15 | 29.2° | 60.0° |
C6 | C5 | C4 | H8 | 120.0° | 120.0° |
C6 | C5 | C4 | H9 | 120.0° | 120.0° |
C6 | C5 | C4 | C3 | 158.2° | 180.0° |
C6 | C5 | C4 | H6 | 82.0° | 60.0° |
C6 | C5 | C4 | H7 | 38.4° | 60.0° |
C6 | C5 | H8 | H9 | 120.0° | 120.0° |
C5 | C6 | H10 | H11 | 119.8° | 120.0° |
C5 | C6 | C7 | H12 | 152.4° | 59.9° |
C5 | C6 | C7 | H13 | 32.3° | 60.0° |
C5 | C4 | C3 | H6 | 119.8° | 120.0° |
C5 | C4 | C3 | H7 | 119.8° | 120.0° |
C5 | C4 | C3 | C2 | 175.5° | 180.0° |
C5 | C4 | C3 | H4 | 55.5° | 60.0° |
C5 | C4 | C3 | H5 | 64.5° | 60.0° |
C5 | C4 | H6 | H7 | 120.6° | 120.1° |
C4 | C5 | H8 | H9 | 120.0° | 120.1° |
C4 | C5 | C6 | H10 | 21.0° | 60.0° |
C4 | C5 | C6 | H11 | 140.8° | 60.0° |
C4 | C3 | C2 | H4 | 120.0° | 120.0° |
C4 | C3 | C2 | H5 | 120.0° | 120.0° |
C4 | C3 | C2 | C1 | 145.7° | 180.0° |
C4 | C3 | C2 | H2 | 25.8° | 60.0° |
C4 | C3 | C2 | H3 | 94.4° | 60.0° |
C4 | C3 | H4 | H5 | 120.1° | 120.0° |
C3 | C4 | H6 | H7 | 120.6° | 120.0° |
C3 | C4 | C5 | H8 | 38.1° | 60.0° |
C3 | C4 | C5 | H9 | 81.8° | 60.0° |
C3 | C2 | C1 | O1 | 112.8° | 0.1° |
C3 | C2 | C1 | H2 | 119.9° | 120.0° |
C3 | C2 | C1 | H3 | 119.9° | 120.0° |
C3 | C2 | C1 | O2 | 66.9° | 179.7° |
C3 | C2 | H2 | H3 | 120.2° | 120.0° |
C2 | C3 | H4 | H5 | 120.1° | 120.0° |
C2 | C3 | C4 | H6 | 64.7° | 60.0° |
C2 | C3 | C4 | H7 | 55.7° | 60.0° |
O1 | C1 | C2 | O2 | 179.7° | 179.6° |
O1 | C1 | O2 | H1 | 0.0° | 0.1° |
O1 | C1 | C2 | H2 | 7.1° | 120.0° |
O1 | C1 | C2 | H3 | 127.2° | 120.0° |
C2 | C1 | O2 | H1 | 179.7° | 179.7° |
C1 | C2 | H2 | H3 | 120.2° | 120.0° |
C1 | C2 | C3 | H4 | 94.3° | 60.0° |
C1 | C2 | C3 | H5 | 25.7° | 59.9° |
O2 | C1 | C2 | H2 | 173.2° | 60.4° |
O2 | C1 | C2 | H3 | 53.0° | 59.6° |
H2 | C2 | C3 | H4 | 145.8° | 180.0° |
H2 | C2 | C3 | H5 | 94.2° | 60.0° |
H3 | C2 | C3 | H4 | 25.6° | 60.0° |
H3 | C2 | C3 | H5 | 145.7° | 180.0° |
H4 | C3 | C4 | H6 | 175.3° | 180.0° |
H4 | C3 | C4 | H7 | 64.3° | 60.0° |
H5 | C3 | C4 | H6 | 55.3° | 60.0° |
H5 | C3 | C4 | H7 | 175.7° | 180.0° |
H6 | C4 | C5 | H8 | 158.0° | 180.0° |
H6 | C4 | C5 | H9 | 38.0° | 59.9° |
H7 | C4 | C5 | H8 | 81.7° | 59.9° |
H7 | C4 | C5 | H9 | 158.4° | 180.0° |
H8 | C5 | C6 | H10 | 99.1° | 180.0° |
H8 | C5 | C6 | H11 | 20.8° | 60.0° |
H9 | C5 | C6 | H10 | 141.0° | 60.0° |
H9 | C5 | C6 | H11 | 99.2° | 180.0° |
H10 | C6 | C7 | H12 | 87.5° | 180.0° |
H10 | C6 | C7 | H13 | 152.3° | 60.0° |
H11 | C6 | C7 | H12 | 32.4° | 60.1° |
H11 | C6 | C7 | H13 | 87.8° | 180.0° |
H12 | C7 | C8 | H14 | 149.3° | 180.0° |
H12 | C7 | C8 | H15 | 90.7° | 60.0° |
H13 | C7 | C8 | H14 | 29.2° | 60.0° |
H13 | C7 | C8 | H15 | 149.2° | 180.0° |
H14 | C8 | C9 | H16 | 132.4° | 172.3° |
H15 | C8 | C9 | H16 | 12.5° | 67.6° |
H16 | C9 | C10 | H17 | 3.5° | 7.5° |
H17 | C10 | C11 | H18 | 63.1° | 66.3° |
H17 | C10 | C11 | H19 | 176.5° | 173.6° |
H18 | C11 | C12 | H20 | 159.7° | 149.4° |
H19 | C11 | C12 | H20 | 79.9° | 90.6° |
H20 | C12 | C13 | H21 | 0.4° | 0.0° |
H21 | C13 | C14 | H22 | 106.0° | 150.6° |
H21 | C13 | C14 | H23 | 133.1° | 89.3° |
H22 | C14 | C15 | H24 | 167.5° | 172.4° |
H23 | C14 | C15 | H24 | 46.7° | 67.5° |
H24 | C15 | C16 | H25 | 5.5° | 7.6° |
H25 | C16 | C17 | H26 | 69.2° | 66.3° |
H25 | C16 | C17 | H27 | 170.7° | 173.7° |
H26 | C17 | C18 | H28 | 60.0° | 180.0° |
H26 | C17 | C18 | H29 | 179.9° | 60.0° |
H26 | C17 | C18 | H30 | 60.0° | 60.0° |
H27 | C17 | C18 | H28 | 60.0° | 60.0° |
H27 | C17 | C18 | H29 | 60.0° | 180.0° |
H27 | C17 | C18 | H30 | 180.0° | 60.0° |
H28 | C18 | H29 | H30 | 120.0° | 119.9° |