GJY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | P1 | sing | 1.82Å | 1.85Å | |
C1 | C2 | sing | 1.53Å | 1.53Å | |
P1 | O2 | sing | 1.61Å | 1.58Å | |
P1 | O1 | doub | 1.48Å | 1.56Å | |
O2 | CM | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.53Å | 1.53Å | |
C3 | C4 | sing | 1.53Å | 1.53Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C6 | C7 | sing | 1.53Å | 1.53Å | |
C8 | C7 | sing | 1.53Å | 1.53Å | |
C8 | C9 | sing | 1.51Å | 1.53Å | |
C9 | C10 | doub | 1.31Å | 1.32Å | |
C10 | C11 | sing | 1.51Å | 1.53Å | |
C12 | C11 | sing | 1.51Å | 1.53Å | |
C12 | C13 | doub | 1.31Å | 1.32Å | |
C18 | C17 | sing | 1.53Å | 1.53Å | |
C13 | C14 | sing | 1.51Å | 1.53Å | |
C17 | C16 | sing | 1.51Å | 1.53Å | |
C14 | C15 | sing | 1.51Å | 1.53Å | |
C16 | C15 | doub | 1.31Å | 1.32Å | |
P1 | F1 | sing | 1.67Å | 1.58Å | |
CM | H1 | sing | 1.09Å | 1.10Å | |
CM | H2 | sing | 1.09Å | 1.10Å | |
CM | H3 | sing | 1.09Å | 1.10Å | |
C1 | H4 | sing | 1.09Å | 1.10Å | |
C1 | H5 | sing | 1.09Å | 1.10Å | |
C2 | H6 | sing | 1.09Å | 1.10Å | |
C2 | H7 | sing | 1.09Å | 1.10Å | |
C3 | H8 | sing | 1.09Å | 1.10Å | |
C3 | H9 | sing | 1.09Å | 1.10Å | |
C4 | H10 | sing | 1.09Å | 1.10Å | |
C4 | H11 | sing | 1.09Å | 1.10Å | |
C5 | H12 | sing | 1.09Å | 1.10Å | |
C5 | H13 | sing | 1.09Å | 1.10Å | |
C6 | H14 | sing | 1.09Å | 1.10Å | |
C6 | H15 | sing | 1.09Å | 1.10Å | |
C7 | H16 | sing | 1.09Å | 1.10Å | |
C7 | H17 | sing | 1.09Å | 1.10Å | |
C8 | H18 | sing | 1.09Å | 1.10Å | |
C8 | H19 | sing | 1.09Å | 1.10Å | |
C9 | H20 | sing | 1.08Å | 1.08Å | |
C10 | H21 | sing | 1.08Å | 1.08Å | |
C11 | H22 | sing | 1.09Å | 1.10Å | |
C11 | H23 | sing | 1.09Å | 1.10Å | |
C12 | H24 | sing | 1.08Å | 1.08Å | |
C13 | H25 | sing | 1.08Å | 1.08Å | |
C14 | H26 | sing | 1.09Å | 1.10Å | |
C14 | H27 | sing | 1.09Å | 1.10Å | |
C15 | H28 | sing | 1.08Å | 1.08Å | |
C16 | H29 | sing | 1.08Å | 1.08Å | |
C17 | H30 | sing | 1.09Å | 1.10Å | |
C17 | H31 | sing | 1.09Å | 1.10Å | |
C18 | H32 | sing | 1.09Å | 1.10Å | |
C18 | H33 | sing | 1.09Å | 1.10Å | |
C18 | H34 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
P1 | C1 | C2 | 111.9° | 109.5° |
C1 | P1 | O2 | 106.8° | 109.5° |
C1 | P1 | O1 | 130.4° | 109.5° |
C1 | P1 | F1 | 109.4° | 109.5° |
P1 | C1 | H4 | 108.9° | 109.5° |
P1 | C1 | H5 | 108.9° | 109.5° |
C1 | C2 | C3 | 113.1° | 109.5° |
C2 | C1 | H4 | 108.9° | 109.5° |
C2 | C1 | H5 | 108.8° | 109.5° |
C1 | C2 | H6 | 108.6° | 109.5° |
C1 | C2 | H7 | 108.5° | 109.5° |
O2 | P1 | O1 | 109.4° | 109.4° |
P1 | O2 | CM | 122.3° | 123.0° |
O2 | P1 | F1 | 101.4° | 109.5° |
O1 | P1 | F1 | 95.4° | 109.5° |
O2 | CM | H1 | 109.5° | 109.5° |
O2 | CM | H2 | 109.5° | 109.5° |
O2 | CM | H3 | 109.5° | 109.5° |
C2 | C3 | C4 | 112.9° | 109.5° |
C3 | C2 | H6 | 108.6° | 109.5° |
C3 | C2 | H7 | 108.6° | 109.5° |
C2 | C3 | H8 | 108.6° | 109.5° |
C2 | C3 | H9 | 108.6° | 109.5° |
C3 | C4 | C5 | 112.7° | 109.5° |
C4 | C3 | H8 | 108.6° | 109.4° |
C4 | C3 | H9 | 108.6° | 109.5° |
C3 | C4 | H10 | 108.7° | 109.4° |
C3 | C4 | H11 | 108.6° | 109.5° |
C4 | C5 | C6 | 112.7° | 109.5° |
C5 | C4 | H10 | 108.6° | 109.5° |
C5 | C4 | H11 | 108.7° | 109.5° |
C4 | C5 | H12 | 108.7° | 109.4° |
C4 | C5 | H13 | 108.7° | 109.5° |
C5 | C6 | C7 | 112.8° | 109.5° |
C6 | C5 | H12 | 108.7° | 109.5° |
C6 | C5 | H13 | 108.7° | 109.5° |
C5 | C6 | H14 | 108.6° | 109.5° |
C5 | C6 | H15 | 108.6° | 109.5° |
C6 | C7 | C8 | 112.6° | 109.5° |
C7 | C6 | H14 | 108.6° | 109.5° |
C7 | C6 | H15 | 108.6° | 109.5° |
C6 | C7 | H16 | 108.7° | 109.5° |
C6 | C7 | H17 | 108.7° | 109.5° |
C7 | C8 | C9 | 113.1° | 109.4° |
C8 | C7 | H16 | 108.7° | 109.5° |
C8 | C7 | H17 | 108.7° | 109.5° |
C7 | C8 | H18 | 108.5° | 109.5° |
C7 | C8 | H19 | 108.6° | 109.5° |
C8 | C9 | C10 | 119.8° | 120.0° |
C9 | C8 | H18 | 108.5° | 109.4° |
C9 | C8 | H19 | 108.5° | 109.5° |
C8 | C9 | H20 | 120.1° | 120.0° |
C9 | C10 | C11 | 119.8° | 120.1° |
C10 | C9 | H20 | 120.1° | 120.0° |
C9 | C10 | H21 | 120.1° | 120.0° |
C10 | C11 | C12 | 113.3° | 109.5° |
C11 | C10 | H21 | 120.1° | 120.0° |
C10 | C11 | H22 | 108.5° | 109.5° |
C10 | C11 | H23 | 108.5° | 109.4° |
C11 | C12 | C13 | 119.9° | 120.0° |
C12 | C11 | H22 | 108.5° | 109.5° |
C12 | C11 | H23 | 108.5° | 109.5° |
C11 | C12 | H24 | 120.1° | 120.0° |
C12 | C13 | C14 | 119.6° | 120.0° |
C13 | C12 | H24 | 120.1° | 120.0° |
C12 | C13 | H25 | 120.2° | 120.0° |
C18 | C17 | C16 | 112.9° | 109.5° |
C18 | C17 | H30 | 108.6° | 109.5° |
C18 | C17 | H31 | 108.6° | 109.5° |
C17 | C18 | H32 | 109.5° | 109.5° |
C17 | C18 | H33 | 109.5° | 109.5° |
C17 | C18 | H34 | 109.5° | 109.5° |
C13 | C14 | C15 | 113.1° | 109.5° |
C14 | C13 | H25 | 120.2° | 120.0° |
C13 | C14 | H26 | 108.6° | 109.5° |
C13 | C14 | H27 | 108.5° | 109.5° |
C17 | C16 | C15 | 120.4° | 120.0° |
C17 | C16 | H29 | 119.8° | 120.0° |
C16 | C17 | H30 | 108.6° | 109.5° |
C16 | C17 | H31 | 108.6° | 109.5° |
C14 | C15 | C16 | 120.7° | 120.0° |
C15 | C14 | H26 | 108.6° | 109.4° |
C15 | C14 | H27 | 108.6° | 109.5° |
C14 | C15 | H28 | 119.7° | 120.0° |
C16 | C15 | H28 | 119.6° | 120.0° |
C15 | C16 | H29 | 119.8° | 120.0° |
H1 | CM | H2 | 109.5° | 109.5° |
H1 | CM | H3 | 109.5° | 109.4° |
H2 | CM | H3 | 109.5° | 109.5° |
H4 | C1 | H5 | 109.5° | 109.5° |
H6 | C2 | H7 | 109.5° | 109.5° |
H8 | C3 | H9 | 109.5° | 109.4° |
H10 | C4 | H11 | 109.5° | 109.5° |
H12 | C5 | H13 | 109.5° | 109.5° |
H14 | C6 | H15 | 109.5° | 109.4° |
H16 | C7 | H17 | 109.5° | 109.5° |
H18 | C8 | H19 | 109.5° | 109.5° |
H22 | C11 | H23 | 109.5° | 109.4° |
H26 | C14 | H27 | 109.4° | 109.5° |
H30 | C17 | H31 | 109.5° | 109.4° |
H32 | C18 | H33 | 109.5° | 109.5° |
H32 | C18 | H34 | 109.5° | 109.5° |
H33 | C18 | H34 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
P1 | C1 | C2 | H4 | 120.4° | 120.0° |
P1 | C1 | C2 | H5 | 120.4° | 120.0° |
C1 | P1 | O2 | O1 | 145.5° | 120.0° |
C1 | P1 | O2 | F1 | 114.5° | 120.0° |
C1 | P1 | O1 | F1 | 121.3° | 120.0° |
C1 | P1 | O2 | CM | 165.1° | 180.0° |
P1 | C1 | C2 | C3 | 144.9° | 180.0° |
P1 | C1 | H4 | H5 | 118.9° | 120.0° |
P1 | C1 | C2 | H6 | 94.6° | 60.0° |
P1 | C1 | C2 | H7 | 24.3° | 60.0° |
C2 | C1 | P1 | O2 | 108.1° | 180.0° |
C2 | C1 | P1 | O1 | 27.4° | 60.0° |
C1 | C2 | C3 | H6 | 120.5° | 120.0° |
C1 | C2 | C3 | H7 | 120.5° | 120.0° |
C1 | C2 | C3 | C4 | 99.2° | 180.0° |
C2 | C1 | P1 | F1 | 142.9° | 60.0° |
C2 | C1 | H4 | H5 | 118.8° | 120.0° |
C1 | C2 | H6 | H7 | 118.3° | 120.0° |
C1 | C2 | C3 | H8 | 21.3° | 60.0° |
C1 | C2 | C3 | H9 | 140.3° | 59.9° |
O2 | P1 | O1 | F1 | 104.1° | 120.0° |
P1 | O2 | CM | H1 | 180.0° | 60.0° |
P1 | O2 | CM | H2 | 60.0° | 60.0° |
P1 | O2 | CM | H3 | 60.0° | 180.0° |
O2 | P1 | C1 | H4 | 12.3° | 60.0° |
O2 | P1 | C1 | H5 | 131.5° | 60.0° |
O1 | P1 | O2 | CM | 19.6° | 60.0° |
O1 | P1 | C1 | H4 | 147.7° | 60.0° |
O1 | P1 | C1 | H5 | 93.0° | 180.0° |
CM | O2 | P1 | F1 | 80.4° | 60.0° |
O2 | CM | H1 | H2 | 120.0° | 120.0° |
O2 | CM | H1 | H3 | 120.0° | 120.0° |
O2 | CM | H2 | H3 | 120.0° | 120.0° |
C2 | C3 | C4 | H8 | 120.5° | 120.0° |
C2 | C3 | C4 | H9 | 120.5° | 120.0° |
C2 | C3 | C4 | C5 | 157.7° | 180.0° |
C3 | C2 | C1 | H4 | 24.5° | 60.0° |
C3 | C2 | C1 | H5 | 94.7° | 60.0° |
C3 | C2 | H6 | H7 | 118.4° | 120.0° |
C2 | C3 | H8 | H9 | 118.4° | 120.0° |
C2 | C3 | C4 | H10 | 81.9° | 60.0° |
C2 | C3 | C4 | H11 | 37.2° | 60.0° |
C3 | C4 | C5 | H10 | 120.5° | 120.0° |
C3 | C4 | C5 | H11 | 120.5° | 120.0° |
C3 | C4 | C5 | C6 | 79.2° | 180.0° |
C4 | C3 | C2 | H6 | 140.3° | 60.0° |
C4 | C3 | C2 | H7 | 21.3° | 60.0° |
C4 | C3 | H8 | H9 | 118.4° | 120.0° |
C3 | C4 | H10 | H11 | 118.5° | 120.0° |
C3 | C4 | C5 | H12 | 160.4° | 60.0° |
C3 | C4 | C5 | H13 | 41.3° | 60.0° |
C4 | C5 | C6 | H12 | 120.5° | 120.0° |
C4 | C5 | C6 | H13 | 120.5° | 120.1° |
C4 | C5 | C6 | C7 | 146.5° | 180.0° |
C5 | C4 | C3 | H8 | 37.2° | 60.0° |
C5 | C4 | C3 | H9 | 81.8° | 59.9° |
C5 | C4 | H10 | H11 | 118.5° | 120.0° |
C4 | C5 | H12 | H13 | 118.5° | 120.0° |
C4 | C5 | C6 | H14 | 93.0° | 60.0° |
C4 | C5 | C6 | H15 | 26.0° | 59.9° |
C5 | C6 | C7 | H14 | 120.5° | 120.0° |
C5 | C6 | C7 | H15 | 120.5° | 120.0° |
C5 | C6 | C7 | C8 | 149.8° | 180.0° |
C6 | C5 | C4 | H10 | 41.3° | 60.0° |
C6 | C5 | C4 | H11 | 160.4° | 60.0° |
C6 | C5 | H12 | H13 | 118.5° | 120.0° |
C5 | C6 | H14 | H15 | 118.5° | 120.0° |
C5 | C6 | C7 | H16 | 89.8° | 60.0° |
C5 | C6 | C7 | H17 | 29.3° | 60.0° |
C6 | C7 | C8 | H16 | 120.5° | 120.0° |
C6 | C7 | C8 | H17 | 120.5° | 120.0° |
C6 | C7 | C8 | C9 | 148.9° | 180.0° |
C7 | C6 | C5 | H12 | 26.0° | 60.0° |
C7 | C6 | C5 | H13 | 93.0° | 60.0° |
C7 | C6 | H14 | H15 | 118.5° | 120.0° |
C6 | C7 | H16 | H17 | 118.5° | 120.0° |
C6 | C7 | C8 | H18 | 28.4° | 60.1° |
C6 | C7 | C8 | H19 | 90.5° | 60.0° |
C7 | C8 | C9 | H18 | 120.5° | 119.9° |
C7 | C8 | C9 | H19 | 120.6° | 120.0° |
C7 | C8 | C9 | C10 | 116.7° | 127.6° |
C8 | C7 | C6 | H14 | 29.3° | 60.0° |
C8 | C7 | C6 | H15 | 89.7° | 59.9° |
C8 | C7 | H16 | H17 | 118.6° | 120.0° |
C7 | C8 | H18 | H19 | 118.3° | 120.1° |
C7 | C8 | C9 | H20 | 63.3° | 52.4° |
C8 | C9 | C10 | H20 | 180.0° | 179.9° |
C8 | C9 | C10 | C11 | 0.3° | 7.2° |
C9 | C8 | C7 | H16 | 90.6° | 60.0° |
C9 | C8 | C7 | H17 | 28.4° | 60.0° |
C9 | C8 | H18 | H19 | 118.3° | 120.0° |
C8 | C9 | C10 | H21 | 179.7° | 172.8° |
C9 | C10 | C11 | H21 | 180.0° | 180.0° |
C9 | C10 | C11 | C12 | 72.7° | 126.4° |
C10 | C9 | C8 | H18 | 122.8° | 7.7° |
C10 | C9 | C8 | H19 | 3.9° | 112.3° |
C9 | C10 | C11 | H22 | 47.9° | 113.5° |
C9 | C10 | C11 | H23 | 166.7° | 6.4° |
C10 | C11 | C12 | H22 | 120.6° | 120.0° |
C10 | C11 | C12 | H23 | 120.6° | 120.0° |
C10 | C11 | C12 | C13 | 148.9° | 127.7° |
C11 | C10 | C9 | H20 | 179.6° | 172.8° |
C10 | C11 | H22 | H23 | 118.2° | 119.9° |
C10 | C11 | C12 | H24 | 31.2° | 52.4° |
C11 | C12 | C13 | H24 | 180.0° | 179.9° |
C11 | C12 | C13 | C14 | 0.1° | 7.2° |
C12 | C11 | C10 | H21 | 107.3° | 53.6° |
C12 | C11 | H22 | H23 | 118.2° | 120.0° |
C11 | C12 | C13 | H25 | 179.9° | 172.8° |
C12 | C13 | C14 | H25 | 180.0° | 179.9° |
C12 | C13 | C14 | C15 | 155.5° | 126.4° |
C13 | C12 | C11 | H22 | 90.6° | 7.6° |
C13 | C12 | C11 | H23 | 28.3° | 112.3° |
C12 | C13 | C14 | H26 | 84.0° | 113.6° |
C12 | C13 | C14 | H27 | 34.9° | 6.4° |
C18 | C17 | C16 | H30 | 120.5° | 120.0° |
C18 | C17 | C16 | H31 | 120.5° | 120.0° |
C18 | C17 | C16 | C15 | 114.5° | 126.8° |
C18 | C17 | C16 | H29 | 65.5° | 53.1° |
C18 | C17 | H30 | H31 | 118.4° | 120.0° |
C17 | C18 | H32 | H33 | 120.0° | 120.0° |
C17 | C18 | H32 | H34 | 120.0° | 120.1° |
C17 | C18 | H33 | H34 | 120.0° | 120.0° |
C13 | C14 | C15 | H26 | 120.6° | 120.0° |
C13 | C14 | C15 | H27 | 120.5° | 120.0° |
C13 | C14 | C15 | C16 | 75.4° | 126.8° |
C14 | C13 | C12 | H24 | 179.9° | 172.7° |
C13 | C14 | H26 | H27 | 118.3° | 120.0° |
C13 | C14 | C15 | H28 | 104.6° | 53.1° |
C17 | C16 | C15 | C14 | 0.1° | 7.9° |
C17 | C16 | C15 | H29 | 180.0° | 179.9° |
C17 | C16 | C15 | H28 | 179.9° | 172.2° |
C16 | C17 | H30 | H31 | 118.4° | 120.0° |
C16 | C17 | C18 | H32 | 180.0° | 60.0° |
C16 | C17 | C18 | H33 | 60.0° | 60.0° |
C16 | C17 | C18 | H34 | 60.0° | 179.9° |
C14 | C15 | C16 | H28 | 180.0° | 179.9° |
C15 | C14 | C13 | H25 | 24.5° | 53.6° |
C15 | C14 | H26 | H27 | 118.4° | 120.0° |
C14 | C15 | C16 | H29 | 179.9° | 172.2° |
C16 | C15 | C14 | H26 | 164.0° | 6.8° |
C16 | C15 | C14 | H27 | 45.1° | 113.2° |
C15 | C16 | C17 | H30 | 6.0° | 113.2° |
C15 | C16 | C17 | H31 | 125.0° | 6.8° |
F1 | P1 | C1 | H4 | 96.7° | 180.0° |
F1 | P1 | C1 | H5 | 22.6° | 60.0° |
H1 | CM | H2 | H3 | 120.0° | 120.0° |
H4 | C1 | C2 | H6 | 145.0° | 180.0° |
H4 | C1 | C2 | H7 | 96.0° | 60.0° |
H5 | C1 | C2 | H6 | 25.8° | 60.0° |
H5 | C1 | C2 | H7 | 144.7° | 180.0° |
H6 | C2 | C3 | H8 | 99.2° | 180.0° |
H6 | C2 | C3 | H9 | 19.7° | 60.1° |
H7 | C2 | C3 | H8 | 141.8° | 60.0° |
H7 | C2 | C3 | H9 | 99.2° | 180.0° |
H8 | C3 | C4 | H10 | 157.6° | 180.0° |
H8 | C3 | C4 | H11 | 83.3° | 60.0° |
H9 | C3 | C4 | H10 | 38.7° | 60.1° |
H9 | C3 | C4 | H11 | 157.7° | 180.0° |
H10 | C4 | C5 | H12 | 79.1° | 180.0° |
H10 | C4 | C5 | H13 | 161.8° | 60.0° |
H11 | C4 | C5 | H12 | 39.9° | 60.0° |
H11 | C4 | C5 | H13 | 79.2° | 180.0° |
H12 | C5 | C6 | H14 | 146.5° | 180.0° |
H12 | C5 | C6 | H15 | 94.5° | 60.0° |
H13 | C5 | C6 | H14 | 27.4° | 60.0° |
H13 | C5 | C6 | H15 | 146.5° | 180.0° |
H14 | C6 | C7 | H16 | 149.8° | 180.0° |
H14 | C6 | C7 | H17 | 91.2° | 60.0° |
H15 | C6 | C7 | H16 | 30.7° | 60.1° |
H15 | C6 | C7 | H17 | 149.8° | 180.0° |
H16 | C7 | C8 | H18 | 148.8° | 180.0° |
H16 | C7 | C8 | H19 | 29.9° | 60.0° |
H17 | C7 | C8 | H18 | 92.1° | 59.9° |
H17 | C7 | C8 | H19 | 149.0° | 180.0° |
H18 | C8 | C9 | H20 | 57.2° | 172.4° |
H19 | C8 | C9 | H20 | 176.1° | 67.6° |
H20 | C9 | C10 | H21 | 0.3° | 7.3° |
H21 | C10 | C11 | H22 | 132.1° | 66.5° |
H21 | C10 | C11 | H23 | 13.2° | 173.6° |
H22 | C11 | C12 | H24 | 89.4° | 172.4° |
H23 | C11 | C12 | H24 | 151.7° | 67.6° |
H24 | C12 | C13 | H25 | 0.1° | 7.3° |
H25 | C13 | C14 | H26 | 96.0° | 66.4° |
H25 | C13 | C14 | H27 | 145.1° | 173.6° |
H26 | C14 | C15 | H28 | 15.9° | 173.1° |
H27 | C14 | C15 | H28 | 134.8° | 66.9° |
H28 | C15 | C16 | H29 | 0.1° | 7.7° |
H29 | C16 | C17 | H30 | 174.0° | 66.9° |
H29 | C16 | C17 | H31 | 55.0° | 173.1° |
H30 | C17 | C18 | H32 | 59.5° | 179.9° |
H30 | C17 | C18 | H33 | 60.5° | 60.0° |
H30 | C17 | C18 | H34 | 179.5° | 59.9° |
H31 | C17 | C18 | H32 | 59.5° | 60.0° |
H31 | C17 | C18 | H33 | 179.5° | 180.0° |
H31 | C17 | C18 | H34 | 60.5° | 60.0° |
H32 | C18 | H33 | H34 | 120.0° | 119.9° |