F4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C06 | doub | 1.22Å | 1.26Å | |
| C20 | C18 | sing | 1.53Å | 1.53Å | |
| C06 | O08 | sing | 1.35Å | 1.26Å | |
| C06 | C05 | sing | 1.47Å | 1.53Å | |
| C09 | C05 | doub | 1.29Å | 1.53Å | |
| C09 | C10 | sing | 1.50Å | 1.57Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C05 | C04 | sing | 1.48Å | 1.53Å | |
| C10 | C17 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.52Å | 1.55Å | |
| C17 | C16 | sing | 1.53Å | 1.54Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C04 | O03 | sing | 1.44Å | 1.40Å | |
| C02 | O03 | sing | 1.35Å | 1.40Å | |
| C02 | C11 | sing | 1.51Å | 1.56Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | O14 | sing | 1.43Å | 1.39Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C09 | H19 | sing | 1.08Å | 1.08Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| O08 | H21 | sing | 0.97Å | 0.95Å | |
| O14 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C06 | O08 | 119.5° | 120.0° |
| O07 | C06 | C05 | 119.0° | 120.0° |
| C20 | C18 | C19 | 109.5° | 109.4° |
| C20 | C18 | C17 | 115.1° | 109.5° |
| C20 | C18 | H10 | 107.2° | 109.5° |
| C18 | C20 | H14 | 109.5° | 109.5° |
| C18 | C20 | H15 | 109.5° | 109.4° |
| C18 | C20 | H16 | 109.5° | 109.5° |
| O08 | C06 | C05 | 121.5° | 120.0° |
| C06 | O08 | H21 | 109.5° | 117.0° |
| C06 | C05 | C09 | 117.4° | 116.9° |
| C06 | C05 | C04 | 120.4° | 116.5° |
| C05 | C09 | C10 | 124.6° | 123.9° |
| C09 | C05 | C04 | 121.4° | 126.6° |
| C05 | C09 | H19 | 117.7° | 118.3° |
| C09 | C10 | C17 | 110.0° | 111.4° |
| C09 | C10 | C11 | 116.0° | 110.8° |
| C10 | C09 | H19 | 117.7° | 117.8° |
| C09 | C10 | H20 | 108.5° | 108.6° |
| C19 | C18 | C17 | 110.4° | 109.5° |
| C19 | C18 | H10 | 107.2° | 109.4° |
| C18 | C19 | H11 | 109.5° | 109.5° |
| C18 | C19 | H12 | 109.5° | 109.5° |
| C18 | C19 | H13 | 109.4° | 109.4° |
| C18 | C17 | C10 | 115.4° | 109.7° |
| C18 | C17 | C16 | 111.6° | 109.6° |
| C18 | C17 | H9 | 107.2° | 109.5° |
| C17 | C18 | H10 | 107.1° | 109.5° |
| C05 | C04 | O03 | 113.4° | 115.6° |
| C05 | C04 | H17 | 108.5° | 108.2° |
| C05 | C04 | H18 | 108.5° | 108.2° |
| C17 | C10 | C11 | 104.6° | 109.5° |
| C10 | C17 | C16 | 108.0° | 109.0° |
| C10 | C17 | H9 | 107.1° | 109.6° |
| C17 | C10 | H20 | 108.7° | 108.7° |
| C10 | C11 | C02 | 115.0° | 108.9° |
| C10 | C11 | C12 | 112.3° | 109.5° |
| C10 | C11 | H1 | 105.2° | 109.3° |
| C11 | C10 | H20 | 108.7° | 107.8° |
| C17 | C16 | C15 | 112.2° | 109.9° |
| C17 | C16 | H7 | 108.8° | 109.4° |
| C17 | C16 | H8 | 108.8° | 109.4° |
| C16 | C17 | H9 | 107.2° | 109.5° |
| O01 | C02 | O03 | 120.2° | 120.4° |
| O01 | C02 | C11 | 122.6° | 120.3° |
| C04 | O03 | C02 | 119.4° | 118.1° |
| O03 | C04 | H17 | 108.5° | 108.2° |
| O03 | C04 | H18 | 108.5° | 108.2° |
| O03 | C02 | C11 | 117.2° | 119.2° |
| C02 | C11 | C12 | 113.1° | 110.7° |
| C02 | C11 | H1 | 105.0° | 109.2° |
| C16 | C15 | C12 | 115.1° | 109.9° |
| C16 | C15 | H5 | 108.1° | 109.4° |
| C16 | C15 | H6 | 108.1° | 109.3° |
| C15 | C16 | H7 | 108.8° | 109.4° |
| C15 | C16 | H8 | 108.8° | 109.4° |
| C13 | C12 | C11 | 111.2° | 109.6° |
| C13 | C12 | C15 | 108.8° | 109.6° |
| C13 | C12 | O14 | 109.3° | 109.6° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C11 | C12 | C15 | 111.6° | 108.9° |
| C11 | C12 | O14 | 110.2° | 109.6° |
| C12 | C11 | H1 | 105.1° | 109.2° |
| C15 | C12 | O14 | 105.4° | 109.6° |
| C12 | C15 | H5 | 108.0° | 109.4° |
| C12 | C15 | H6 | 108.0° | 109.4° |
| C12 | O14 | H22 | 109.5° | 114.0° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H4 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.4° |
| H7 | C16 | H8 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.5° | 109.5° |
| H11 | C19 | H13 | 109.5° | 109.5° |
| H12 | C19 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H14 | C20 | H16 | 109.4° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C04 | H18 | 109.4° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C06 | O08 | C05 | 179.8° | 179.9° |
| O07 | C06 | C05 | C09 | 5.7° | 0.2° |
| O07 | C06 | C05 | C04 | 175.4° | 180.0° |
| O07 | C06 | O08 | H21 | 0.0° | 0.0° |
| C20 | C18 | C19 | C17 | 127.8° | 120.0° |
| C20 | C18 | C19 | H10 | 115.9° | 120.0° |
| C20 | C18 | C17 | H10 | 119.0° | 120.1° |
| C20 | C18 | C17 | C10 | 56.3° | 176.4° |
| C20 | C18 | C17 | C16 | 67.4° | 64.0° |
| C20 | C18 | C17 | H9 | 175.5° | 56.1° |
| C20 | C18 | C19 | H11 | 180.0° | 60.0° |
| C20 | C18 | C19 | H12 | 60.0° | 60.0° |
| C20 | C18 | C19 | H13 | 60.0° | 180.0° |
| C18 | C20 | H14 | H15 | 120.0° | 119.9° |
| C18 | C20 | H14 | H16 | 120.0° | 120.0° |
| C18 | C20 | H15 | H16 | 120.0° | 120.0° |
| O08 | C06 | C05 | C09 | 174.5° | 179.7° |
| O08 | C06 | C05 | C04 | 4.8° | 0.1° |
| C06 | C05 | C09 | C04 | 169.6° | 179.8° |
| C06 | C05 | C09 | C10 | 166.2° | 177.6° |
| C06 | C05 | C04 | O03 | 127.9° | 155.3° |
| C06 | C05 | C04 | H17 | 7.3° | 83.3° |
| C06 | C05 | C04 | H18 | 111.5° | 33.7° |
| C06 | C05 | C09 | H19 | 13.8° | 2.7° |
| C05 | C06 | O08 | H21 | 179.8° | 179.9° |
| C05 | C09 | C10 | H19 | 180.0° | 179.8° |
| C05 | C09 | C10 | C17 | 103.3° | 167.9° |
| C05 | C09 | C10 | C11 | 15.1° | 70.0° |
| C09 | C05 | C04 | O03 | 62.8° | 25.0° |
| C09 | C05 | C04 | H17 | 176.6° | 96.5° |
| C09 | C05 | C04 | H18 | 57.8° | 146.5° |
| C05 | C09 | C10 | H20 | 137.8° | 48.2° |
| C09 | C10 | C17 | C18 | 40.4° | 56.8° |
| C10 | C09 | C05 | C04 | 3.4° | 2.2° |
| C09 | C10 | C17 | C11 | 125.2° | 122.8° |
| C09 | C10 | C17 | H20 | 118.7° | 119.6° |
| C09 | C10 | C11 | H20 | 122.6° | 118.8° |
| C09 | C10 | C17 | C16 | 166.0° | 176.7° |
| C09 | C10 | C11 | C02 | 41.8° | 54.2° |
| C09 | C10 | C11 | C12 | 173.0° | 175.3° |
| C09 | C10 | C11 | H1 | 73.2° | 65.1° |
| C09 | C10 | C17 | H9 | 78.9° | 63.4° |
| C19 | C18 | C17 | H10 | 116.3° | 120.0° |
| C19 | C18 | C17 | C10 | 179.1° | 63.6° |
| C19 | C18 | C17 | C16 | 57.2° | 55.9° |
| C19 | C18 | C17 | H9 | 59.9° | 176.1° |
| C18 | C19 | H11 | H12 | 120.0° | 120.0° |
| C18 | C19 | H11 | H13 | 120.0° | 120.0° |
| C18 | C19 | H12 | H13 | 120.0° | 120.0° |
| C19 | C18 | C20 | H14 | 180.0° | 54.4° |
| C19 | C18 | C20 | H15 | 60.0° | 174.3° |
| C19 | C18 | C20 | H16 | 60.0° | 65.7° |
| C18 | C17 | C10 | C16 | 125.6° | 119.9° |
| C18 | C17 | C10 | H9 | 119.3° | 120.2° |
| C18 | C17 | C10 | C11 | 165.6° | 179.7° |
| C18 | C17 | C16 | H9 | 117.1° | 120.1° |
| C18 | C17 | C16 | C15 | 172.2° | 179.3° |
| C18 | C17 | C16 | H7 | 51.8° | 59.2° |
| C18 | C17 | C16 | H8 | 67.4° | 60.6° |
| C17 | C18 | C19 | H11 | 52.2° | 60.0° |
| C17 | C18 | C19 | H12 | 172.2° | 180.0° |
| C17 | C18 | C19 | H13 | 67.8° | 60.0° |
| C17 | C18 | C20 | H14 | 54.9° | 65.6° |
| C17 | C18 | C20 | H15 | 65.1° | 54.3° |
| C17 | C18 | C20 | H16 | 174.9° | 174.3° |
| C18 | C17 | C10 | H20 | 78.3° | 62.8° |
| C05 | C04 | O03 | H17 | 120.6° | 121.5° |
| C05 | C04 | O03 | H18 | 120.6° | 121.5° |
| C05 | C04 | O03 | C02 | 63.1° | 33.6° |
| C05 | C04 | H17 | H18 | 118.2° | 117.0° |
| C04 | C05 | C09 | H19 | 176.6° | 177.5° |
| C17 | C10 | C11 | H20 | 116.1° | 118.0° |
| C10 | C17 | C16 | H9 | 115.1° | 119.9° |
| C17 | C10 | C11 | C02 | 163.2° | 177.3° |
| C10 | C17 | C16 | C15 | 60.0° | 59.3° |
| C17 | C10 | C11 | C12 | 65.6° | 61.5° |
| C17 | C10 | C11 | H1 | 48.1° | 58.1° |
| C10 | C17 | C16 | H7 | 179.6° | 60.8° |
| C10 | C17 | C16 | H8 | 60.4° | 179.4° |
| C10 | C17 | C18 | H10 | 62.8° | 56.3° |
| C17 | C10 | C09 | H19 | 76.7° | 12.4° |
| C11 | C10 | C17 | C16 | 68.8° | 60.4° |
| C10 | C11 | C02 | O01 | 99.1° | 150.6° |
| C10 | C11 | C02 | O03 | 81.8° | 29.4° |
| C10 | C11 | C02 | C12 | 130.8° | 120.4° |
| C10 | C11 | C02 | H1 | 115.1° | 119.3° |
| C10 | C11 | C12 | C13 | 70.5° | 59.3° |
| C10 | C11 | C12 | H1 | 113.8° | 119.6° |
| C10 | C11 | C12 | C15 | 51.2° | 60.6° |
| C10 | C11 | C12 | O14 | 168.1° | 179.6° |
| C11 | C10 | C17 | H9 | 46.4° | 59.4° |
| C11 | C10 | C09 | H19 | 164.9° | 109.7° |
| C17 | C16 | C15 | H7 | 120.4° | 120.1° |
| C17 | C16 | C15 | H8 | 120.4° | 120.1° |
| C17 | C16 | C15 | C12 | 45.3° | 59.2° |
| C17 | C16 | C15 | H5 | 75.6° | 179.3° |
| C17 | C16 | C15 | H6 | 166.1° | 60.9° |
| C17 | C16 | H7 | H8 | 118.8° | 119.8° |
| C16 | C17 | C18 | H10 | 173.5° | 175.9° |
| C16 | C17 | C10 | H20 | 47.3° | 57.1° |
| O01 | C02 | O03 | C04 | 162.9° | 94.8° |
| O01 | C02 | O03 | C11 | 179.2° | 180.0° |
| O01 | C02 | C11 | C12 | 31.8° | 89.0° |
| O01 | C02 | C11 | H1 | 145.8° | 31.3° |
| C04 | O03 | C02 | C11 | 17.9° | 85.2° |
| O03 | C04 | H17 | H18 | 118.2° | 117.0° |
| O03 | C02 | C11 | C12 | 147.4° | 91.0° |
| O03 | C02 | C11 | H1 | 33.3° | 148.7° |
| C02 | O03 | C04 | H17 | 176.3° | 155.1° |
| C02 | O03 | C04 | H18 | 57.5° | 87.9° |
| C02 | C11 | C12 | C13 | 61.6° | 60.8° |
| C02 | C11 | C12 | H1 | 114.0° | 120.3° |
| C02 | C11 | C12 | C15 | 176.6° | 179.4° |
| C02 | C11 | C12 | O14 | 59.8° | 59.5° |
| C02 | C11 | C10 | H20 | 80.8° | 64.6° |
| C16 | C15 | C12 | C13 | 83.4° | 60.4° |
| C16 | C15 | C12 | C11 | 39.7° | 59.4° |
| C16 | C15 | C12 | H5 | 120.8° | 120.2° |
| C16 | C15 | C12 | H6 | 120.8° | 120.1° |
| C16 | C15 | C12 | O14 | 159.4° | 179.2° |
| C16 | C15 | H5 | H6 | 117.5° | 119.8° |
| C15 | C16 | H7 | H8 | 118.8° | 119.8° |
| C15 | C16 | C17 | H9 | 55.1° | 60.6° |
| C13 | C12 | C11 | C15 | 121.8° | 119.8° |
| C13 | C12 | C11 | O14 | 121.4° | 120.3° |
| C13 | C12 | C15 | O14 | 117.1° | 120.3° |
| C13 | C12 | C11 | H1 | 175.7° | 178.9° |
| C12 | C13 | H2 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C13 | C12 | C15 | H5 | 155.7° | 59.8° |
| C13 | C12 | C15 | H6 | 37.4° | 179.5° |
| C13 | C12 | O14 | H22 | 180.0° | 59.8° |
| C11 | C12 | C15 | O14 | 119.7° | 119.8° |
| C11 | C12 | C13 | H2 | 180.0° | 60.0° |
| C11 | C12 | C13 | H3 | 60.0° | 180.0° |
| C11 | C12 | C13 | H4 | 60.0° | 60.0° |
| C11 | C12 | C15 | H5 | 81.1° | 179.6° |
| C11 | C12 | C15 | H6 | 160.5° | 60.6° |
| C12 | C11 | C10 | H20 | 50.5° | 56.5° |
| C11 | C12 | O14 | H22 | 57.5° | 180.0° |
| C15 | C12 | C11 | H1 | 62.6° | 59.1° |
| C15 | C12 | C13 | H2 | 56.6° | 179.4° |
| C15 | C12 | C13 | H3 | 63.4° | 60.6° |
| C15 | C12 | C13 | H4 | 176.6° | 59.4° |
| C12 | C15 | H5 | H6 | 117.4° | 119.8° |
| C12 | C15 | C16 | H7 | 165.7° | 60.9° |
| C12 | C15 | C16 | H8 | 75.1° | 179.3° |
| C15 | C12 | O14 | H22 | 63.2° | 60.5° |
| O14 | C12 | C11 | H1 | 54.3° | 60.8° |
| O14 | C12 | C13 | H2 | 58.1° | 60.2° |
| O14 | C12 | C13 | H3 | 178.1° | 59.8° |
| O14 | C12 | C13 | H4 | 62.0° | 179.8° |
| O14 | C12 | C15 | H5 | 38.6° | 60.6° |
| O14 | C12 | C15 | H6 | 79.7° | 59.2° |
| H1 | C11 | C10 | H20 | 164.2° | 176.1° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H5 | C15 | C16 | H7 | 44.9° | 59.3° |
| H5 | C15 | C16 | H8 | 164.1° | 60.6° |
| H6 | C15 | C16 | H7 | 73.5° | 179.1° |
| H6 | C15 | C16 | H8 | 45.7° | 59.2° |
| H7 | C16 | C17 | H9 | 65.3° | 179.4° |
| H8 | C16 | C17 | H9 | 175.5° | 59.5° |
| H9 | C17 | C18 | H10 | 56.4° | 63.9° |
| H9 | C17 | C10 | H20 | 162.4° | 176.9° |
| H10 | C18 | C19 | H11 | 64.1° | 180.0° |
| H10 | C18 | C19 | H12 | 55.9° | 60.0° |
| H10 | C18 | C19 | H13 | 175.9° | 60.0° |
| H10 | C18 | C20 | H14 | 64.1° | 174.3° |
| H10 | C18 | C20 | H15 | 175.9° | 65.8° |
| H10 | C18 | C20 | H16 | 55.9° | 54.2° |
| H11 | C19 | H12 | H13 | 120.0° | 120.0° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H19 | C09 | C10 | H20 | 42.2° | 132.0° |
