GEY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O2 | C1 | doub | 1.22Å | 1.23Å | |
C1 | C2 | sing | 1.47Å | 1.51Å | |
C1 | O1 | sing | 1.35Å | 1.26Å | |
C2 | C3 | doub | 1.33Å | 1.33Å | |
C3 | C4 | sing | 1.51Å | 1.49Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C6 | C5 | sing | 1.53Å | 1.54Å | |
C6 | C7 | sing | 1.53Å | 1.55Å | |
C8 | C7 | sing | 1.53Å | 1.55Å | |
C8 | C9 | sing | 1.53Å | 1.54Å | |
C9 | C10 | sing | 1.53Å | 1.54Å | |
C10 | C11 | sing | 1.53Å | 1.53Å | |
C11 | C12 | sing | 1.53Å | 1.52Å | |
C2 | H1 | sing | 1.08Å | 1.08Å | |
C3 | H2 | sing | 1.08Å | 1.08Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C5 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
C6 | H8 | sing | 1.09Å | 1.10Å | |
C8 | H9 | sing | 1.09Å | 1.10Å | |
C8 | H10 | sing | 1.09Å | 1.10Å | |
O1 | H11 | sing | 0.97Å | 0.95Å | |
C7 | H12 | sing | 1.09Å | 1.10Å | |
C7 | H13 | sing | 1.09Å | 1.10Å | |
C9 | H14 | sing | 1.09Å | 1.10Å | |
C9 | H15 | sing | 1.09Å | 1.10Å | |
C10 | H16 | sing | 1.09Å | 1.10Å | |
C10 | H17 | sing | 1.09Å | 1.10Å | |
C11 | H19 | sing | 1.09Å | 1.10Å | |
C11 | H18 | sing | 1.09Å | 1.10Å | |
C12 | H20 | sing | 1.09Å | 1.10Å | |
C12 | H21 | sing | 1.09Å | 1.10Å | |
C12 | H22 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O2 | C1 | C2 | 117.2° | 120.0° |
O2 | C1 | O1 | 126.8° | 120.0° |
C2 | C1 | O1 | 116.0° | 120.0° |
C1 | C2 | C3 | 126.0° | 120.0° |
C1 | C2 | H1 | 117.0° | 120.1° |
C1 | O1 | H11 | 109.5° | 117.0° |
C2 | C3 | C4 | 123.1° | 120.0° |
C3 | C2 | H1 | 117.0° | 120.0° |
C2 | C3 | H2 | 118.5° | 120.0° |
C3 | C4 | C5 | 115.4° | 109.5° |
C4 | C3 | H2 | 118.5° | 120.0° |
C3 | C4 | H4 | 108.0° | 109.4° |
C3 | C4 | H3 | 108.0° | 109.5° |
C4 | C5 | C6 | 115.7° | 109.5° |
C5 | C4 | H4 | 108.0° | 109.5° |
C5 | C4 | H3 | 108.0° | 109.5° |
C4 | C5 | H5 | 107.9° | 109.5° |
C4 | C5 | H6 | 107.9° | 109.5° |
C5 | C6 | C7 | 116.1° | 109.5° |
C6 | C5 | H5 | 107.9° | 109.4° |
C6 | C5 | H6 | 107.9° | 109.5° |
C5 | C6 | H7 | 107.8° | 109.4° |
C5 | C6 | H8 | 107.8° | 109.5° |
C6 | C7 | C8 | 115.7° | 109.5° |
C7 | C6 | H7 | 107.7° | 109.5° |
C7 | C6 | H8 | 107.7° | 109.5° |
C6 | C7 | H12 | 107.9° | 109.5° |
C6 | C7 | H13 | 107.9° | 109.5° |
C7 | C8 | C9 | 116.6° | 109.5° |
C7 | C8 | H9 | 107.7° | 109.5° |
C7 | C8 | H10 | 107.6° | 109.5° |
C8 | C7 | H12 | 107.9° | 109.5° |
C8 | C7 | H13 | 107.9° | 109.5° |
C8 | C9 | C10 | 115.0° | 109.4° |
C9 | C8 | H9 | 107.7° | 109.4° |
C9 | C8 | H10 | 107.7° | 109.5° |
C8 | C9 | H14 | 108.1° | 109.5° |
C8 | C9 | H15 | 108.1° | 109.5° |
C9 | C10 | C11 | 115.4° | 109.4° |
C10 | C9 | H14 | 108.1° | 109.5° |
C10 | C9 | H15 | 108.1° | 109.4° |
C9 | C10 | H16 | 108.0° | 109.5° |
C9 | C10 | H17 | 108.0° | 109.5° |
C10 | C11 | C12 | 114.3° | 109.4° |
C11 | C10 | H16 | 108.0° | 109.4° |
C11 | C10 | H17 | 108.0° | 109.5° |
C10 | C11 | H19 | 108.3° | 109.5° |
C10 | C11 | H18 | 108.2° | 109.5° |
C12 | C11 | H19 | 108.3° | 109.5° |
C12 | C11 | H18 | 108.3° | 109.4° |
C11 | C12 | H20 | 109.5° | 109.5° |
C11 | C12 | H21 | 109.5° | 109.5° |
C11 | C12 | H22 | 109.4° | 109.4° |
H4 | C4 | H3 | 109.5° | 109.5° |
H5 | C5 | H6 | 109.5° | 109.5° |
H7 | C6 | H8 | 109.5° | 109.4° |
H9 | C8 | H10 | 109.5° | 109.5° |
H12 | C7 | H13 | 109.4° | 109.4° |
H14 | C9 | H15 | 109.5° | 109.5° |
H16 | C10 | H17 | 109.5° | 109.5° |
H19 | C11 | H18 | 109.5° | 109.5° |
H20 | C12 | H21 | 109.4° | 109.5° |
H20 | C12 | H22 | 109.5° | 109.5° |
H21 | C12 | H22 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O2 | C1 | C2 | O1 | 179.7° | 179.8° |
O2 | C1 | C2 | C3 | 52.4° | 6.7° |
O2 | C1 | C2 | H1 | 127.6° | 173.3° |
O2 | C1 | O1 | H11 | 0.0° | 0.3° |
C1 | C2 | C3 | H1 | 180.0° | 180.0° |
C1 | C2 | C3 | C4 | 0.7° | 15.2° |
C1 | C2 | C3 | H2 | 179.3° | 164.8° |
C2 | C1 | O1 | H11 | 179.7° | 180.0° |
O1 | C1 | C2 | C3 | 127.3° | 173.5° |
O1 | C1 | C2 | H1 | 52.7° | 6.5° |
C2 | C3 | C4 | H2 | 180.0° | 180.0° |
C2 | C3 | C4 | C5 | 173.0° | 135.7° |
C2 | C3 | C4 | H4 | 66.1° | 104.3° |
C2 | C3 | C4 | H3 | 52.1° | 15.7° |
C3 | C4 | C5 | H4 | 120.9° | 120.0° |
C3 | C4 | C5 | H3 | 120.9° | 120.0° |
C3 | C4 | C5 | C6 | 136.5° | 180.0° |
C4 | C3 | C2 | H1 | 179.3° | 164.8° |
C3 | C4 | H4 | H3 | 117.3° | 120.0° |
C3 | C4 | C5 | H5 | 15.6° | 60.0° |
C3 | C4 | C5 | H6 | 102.6° | 60.0° |
C4 | C5 | C6 | H5 | 120.9° | 120.0° |
C4 | C5 | C6 | H6 | 120.9° | 120.1° |
C4 | C5 | C6 | C7 | 157.7° | 180.0° |
C5 | C4 | C3 | H2 | 7.0° | 44.2° |
C5 | C4 | H4 | H3 | 117.3° | 120.1° |
C4 | C5 | H5 | H6 | 117.2° | 120.1° |
C4 | C5 | C6 | H7 | 81.4° | 60.0° |
C4 | C5 | C6 | H8 | 36.7° | 59.9° |
C5 | C6 | C7 | H7 | 121.0° | 120.0° |
C5 | C6 | C7 | H8 | 121.0° | 120.0° |
C5 | C6 | C7 | C8 | 178.7° | 180.0° |
C6 | C5 | C4 | H4 | 102.7° | 60.1° |
C6 | C5 | C4 | H3 | 15.6° | 60.0° |
C6 | C5 | H5 | H6 | 117.2° | 120.0° |
C5 | C6 | H7 | H8 | 117.0° | 120.0° |
C5 | C6 | C7 | H12 | 60.4° | 60.0° |
C5 | C6 | C7 | H13 | 57.7° | 60.0° |
C6 | C7 | C8 | H12 | 120.9° | 120.0° |
C6 | C7 | C8 | H13 | 120.9° | 120.0° |
C6 | C7 | C8 | C9 | 142.0° | 180.0° |
C7 | C6 | C5 | H5 | 36.8° | 60.0° |
C7 | C6 | C5 | H6 | 81.4° | 60.0° |
C7 | C6 | H7 | H8 | 116.9° | 120.0° |
C6 | C7 | C8 | H9 | 21.0° | 60.1° |
C6 | C7 | C8 | H10 | 97.0° | 60.0° |
C6 | C7 | H12 | H13 | 117.2° | 120.0° |
C7 | C8 | C9 | H9 | 121.0° | 120.0° |
C7 | C8 | C9 | H10 | 121.0° | 120.1° |
C7 | C8 | C9 | C10 | 156.4° | 180.0° |
C8 | C7 | C6 | H7 | 57.7° | 60.0° |
C8 | C7 | C6 | H8 | 60.4° | 60.0° |
C7 | C8 | H9 | H10 | 116.8° | 120.1° |
C8 | C7 | H12 | H13 | 117.2° | 120.0° |
C7 | C8 | C9 | H14 | 82.8° | 60.1° |
C7 | C8 | C9 | H15 | 35.6° | 60.0° |
C8 | C9 | C10 | H14 | 120.8° | 120.0° |
C8 | C9 | C10 | H15 | 120.8° | 120.0° |
C8 | C9 | C10 | C11 | 154.7° | 180.0° |
C9 | C8 | H9 | H10 | 116.8° | 120.0° |
C9 | C8 | C7 | H12 | 97.1° | 60.0° |
C9 | C8 | C7 | H13 | 21.0° | 60.0° |
C8 | C9 | H14 | H15 | 117.5° | 120.0° |
C8 | C9 | C10 | H16 | 84.4° | 60.0° |
C8 | C9 | C10 | H17 | 33.9° | 60.0° |
C9 | C10 | C11 | H16 | 120.9° | 120.0° |
C9 | C10 | C11 | H17 | 120.8° | 120.0° |
C9 | C10 | C11 | C12 | 174.0° | 180.0° |
C10 | C9 | C8 | H9 | 35.4° | 60.0° |
C10 | C9 | C8 | H10 | 82.6° | 60.0° |
C10 | C9 | H14 | H15 | 117.5° | 120.0° |
C9 | C10 | H16 | H17 | 117.3° | 120.0° |
C9 | C10 | C11 | H19 | 53.3° | 60.0° |
C9 | C10 | C11 | H18 | 65.3° | 60.0° |
C10 | C11 | C12 | H19 | 120.7° | 120.0° |
C10 | C11 | C12 | H18 | 120.7° | 120.0° |
C11 | C10 | C9 | H14 | 33.9° | 60.0° |
C11 | C10 | C9 | H15 | 84.5° | 60.0° |
C11 | C10 | H16 | H17 | 117.3° | 120.0° |
C10 | C11 | H19 | H18 | 117.8° | 120.0° |
C10 | C11 | C12 | H20 | 180.0° | 180.0° |
C10 | C11 | C12 | H21 | 60.0° | 60.0° |
C10 | C11 | C12 | H22 | 60.0° | 60.0° |
C12 | C11 | C10 | H16 | 65.1° | 60.0° |
C12 | C11 | C10 | H17 | 53.2° | 60.0° |
C12 | C11 | H19 | H18 | 117.8° | 120.0° |
C11 | C12 | H20 | H21 | 120.0° | 120.0° |
C11 | C12 | H20 | H22 | 120.0° | 120.0° |
C11 | C12 | H21 | H22 | 120.0° | 120.0° |
H1 | C2 | C3 | H2 | 0.7° | 15.2° |
H2 | C3 | C4 | H4 | 113.9° | 75.7° |
H2 | C3 | C4 | H3 | 127.9° | 164.3° |
H4 | C4 | C5 | H5 | 136.4° | NaN° |
H4 | C4 | C5 | H6 | 18.3° | 60.0° |
H3 | C4 | C5 | H5 | 105.3° | 60.0° |
H3 | C4 | C5 | H6 | 136.5° | NaN° |
H5 | C5 | C6 | H7 | 157.7° | 180.0° |
H5 | C5 | C6 | H8 | 84.2° | 60.0° |
H6 | C5 | C6 | H7 | 39.5° | 60.1° |
H6 | C5 | C6 | H8 | 157.6° | 180.0° |
H7 | C6 | C7 | H12 | 178.6° | 180.0° |
H7 | C6 | C7 | H13 | 63.2° | 60.0° |
H8 | C6 | C7 | H12 | 60.6° | 60.0° |
H8 | C6 | C7 | H13 | 178.7° | 180.0° |
H9 | C8 | C7 | H12 | 141.9° | 179.9° |
H9 | C8 | C7 | H13 | 100.0° | 60.0° |
H9 | C8 | C9 | H14 | 156.1° | 180.0° |
H9 | C8 | C9 | H15 | 85.4° | 60.0° |
H10 | C8 | C7 | H12 | 23.9° | 60.0° |
H10 | C8 | C7 | H13 | 142.1° | 180.0° |
H10 | C8 | C9 | H14 | 38.2° | 60.0° |
H10 | C8 | C9 | H15 | 156.6° | 179.9° |
H14 | C9 | C10 | H16 | 154.8° | 180.0° |
H14 | C9 | C10 | H17 | 86.9° | 60.0° |
H15 | C9 | C10 | H16 | 36.4° | 59.9° |
H15 | C9 | C10 | H17 | 154.7° | 180.0° |
H16 | C10 | C11 | H19 | 174.2° | 180.0° |
H16 | C10 | C11 | H18 | 55.6° | 60.0° |
H17 | C10 | C11 | H19 | 67.6° | 60.0° |
H17 | C10 | C11 | H18 | 173.9° | 180.0° |
H19 | C11 | C12 | H20 | 59.3° | 60.0° |
H19 | C11 | C12 | H21 | 179.3° | 180.0° |
H19 | C11 | C12 | H22 | 60.7° | 60.0° |
H18 | C11 | C12 | H20 | 59.3° | 60.0° |
H18 | C11 | C12 | H21 | 60.7° | 60.0° |
H18 | C11 | C12 | H22 | 179.3° | 180.0° |
H20 | C12 | H21 | H22 | 120.0° | 120.0° |