C4X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | O1 | sing | 1.43Å | 1.45Å | |
C1 | O5 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.54Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | H2 | sing | 1.09Å | 1.12Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O3 | sing | 1.43Å | 1.40Å | |
C3 | H3 | sing | 1.09Å | 1.11Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | H4 | sing | 1.09Å | 1.11Å | |
C5 | O5 | sing | 1.43Å | 1.44Å | |
C5 | H51 | sing | 1.09Å | 1.12Å | |
C5 | H52 | sing | 1.09Å | 1.11Å | |
O1 | C1' | sing | 1.43Å | 1.46Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C1' | C2' | sing | 1.53Å | 1.54Å | |
C1' | H1'1 | sing | 1.09Å | 1.12Å | |
C1' | H1'2 | sing | 1.09Å | 1.11Å | |
C2' | C3' | sing | 1.53Å | 1.54Å | |
C2' | H2'1 | sing | 1.09Å | 1.12Å | |
C2' | H2'2 | sing | 1.09Å | 1.12Å | |
C3' | C4' | sing | 1.53Å | 1.55Å | |
C3' | O' | sing | 1.43Å | 1.40Å | |
C3' | H3' | sing | 1.09Å | 1.12Å | |
C4' | O' | sing | 1.43Å | 2.41Å | |
C4' | H4'1 | sing | 1.09Å | 1.11Å | |
C4' | H4'2 | sing | 1.09Å | 1.12Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 113.9° | 109.4° |
C2 | C1 | O5 | 107.5° | 109.9° |
C2 | C1 | H1 | 107.7° | 109.4° |
C1 | C2 | C3 | 108.2° | 109.1° |
C1 | C2 | O2 | 112.2° | 109.6° |
C1 | C2 | H2 | 107.8° | 109.5° |
O1 | C1 | O5 | 108.7° | 109.5° |
O1 | C1 | H1 | 106.4° | 109.3° |
C1 | O1 | C1' | 114.9° | 106.8° |
O5 | C1 | H1 | 112.9° | 109.3° |
C1 | O5 | C5 | 115.8° | 107.6° |
C3 | C2 | O2 | 107.3° | 109.7° |
C3 | C2 | H2 | 112.7° | 109.4° |
C2 | C3 | C4 | 110.6° | 108.7° |
C2 | C3 | O3 | 110.7° | 109.7° |
C2 | C3 | H3 | 107.8° | 109.6° |
O2 | C2 | H2 | 108.7° | 109.5° |
C2 | O2 | HO2 | 112.3° | 106.8° |
C4 | C3 | O3 | 109.2° | 109.9° |
C4 | C3 | H3 | 109.2° | 109.4° |
C3 | C4 | C5 | 108.8° | 109.1° |
C3 | C4 | O4 | 110.2° | 109.6° |
C3 | C4 | H4 | 109.9° | 109.5° |
O3 | C3 | H3 | 109.3° | 109.6° |
C3 | O3 | HO3 | 110.6° | 106.9° |
C5 | C4 | O4 | 110.8° | 109.6° |
C5 | C4 | H4 | 109.3° | 109.5° |
C4 | C5 | O5 | 111.2° | 109.8° |
C4 | C5 | H51 | 111.6° | 109.4° |
C4 | C5 | H52 | 111.6° | 109.4° |
O4 | C4 | H4 | 107.8° | 109.5° |
C4 | O4 | HO4 | 110.2° | 106.8° |
O5 | C5 | H51 | 111.5° | 109.4° |
O5 | C5 | H52 | 111.5° | 109.5° |
H51 | C5 | H52 | 98.8° | 109.4° |
O1 | C1' | C2' | 114.3° | 109.5° |
O1 | C1' | H1'1 | 110.5° | 109.4° |
O1 | C1' | H1'2 | 110.5° | 109.5° |
C2' | C1' | H1'1 | 110.4° | 109.4° |
C2' | C1' | H1'2 | 110.4° | 109.5° |
C1' | C2' | C3' | 119.0° | 109.5° |
C1' | C2' | H2'1 | 108.8° | 109.4° |
C1' | C2' | H2'2 | 108.9° | 109.5° |
H1'1 | C1' | H1'2 | 99.9° | 109.5° |
C3' | C2' | H2'1 | 108.8° | 109.4° |
C3' | C2' | H2'2 | 108.8° | 109.5° |
C2' | C3' | C4' | 115.1° | 117.9° |
C2' | C3' | O' | 107.3° | 117.9° |
C2' | C3' | H3' | 107.0° | 115.6° |
H2'1 | C2' | H2'2 | 101.2° | 109.4° |
C4' | C3' | O' | 109.1° | 57.7° |
C4' | C3' | H3' | 105.1° | 117.8° |
C3' | C4' | O' | 33.4° | 57.6° |
C3' | C4' | H4'1 | 152.6° | 117.7° |
C3' | C4' | H4'2 | 152.5° | 117.8° |
O' | C3' | H3' | 113.3° | 117.7° |
C3' | O' | C4' | 37.5° | 64.7° |
O' | C4' | H4'1 | 152.6° | 117.9° |
O' | C4' | H4'2 | 152.5° | 117.8° |
H4'1 | C4' | H4'2 | 44.2° | 115.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 119.8° | 120.4° |
C2 | C1 | O1 | H1 | 118.4° | 119.8° |
C2 | C1 | O5 | H1 | 118.6° | 120.1° |
C1 | C2 | C3 | O2 | 121.3° | 120.1° |
C1 | C2 | C3 | H2 | 119.1° | 119.8° |
C1 | C2 | O2 | H2 | 119.1° | 120.1° |
C1 | C2 | C3 | C4 | 59.2° | 53.4° |
C1 | C2 | C3 | O3 | 179.6° | 173.6° |
C1 | C2 | C3 | H3 | 60.2° | 66.1° |
C2 | C1 | O5 | C5 | 62.0° | 67.5° |
C2 | C1 | O1 | C1' | 139.5° | 179.7° |
C1 | C2 | O2 | HO2 | 179.9° | 59.9° |
O1 | C1 | O5 | H1 | 117.7° | 119.8° |
O1 | C1 | C2 | C3 | 179.4° | 178.7° |
O1 | C1 | C2 | O2 | 61.1° | 58.6° |
O1 | C1 | C2 | H2 | 58.5° | 61.5° |
O1 | C1 | O5 | C5 | 174.3° | 172.3° |
C1 | O1 | C1' | C2' | 161.7° | 180.0° |
C1 | O1 | C1' | H1'1 | 73.0° | 60.1° |
C1 | O1 | C1' | H1'2 | 36.5° | 59.9° |
O5 | C1 | C2 | C3 | 60.1° | 61.1° |
O5 | C1 | C2 | O2 | 178.4° | 178.8° |
O5 | C1 | C2 | H2 | 62.0° | 58.7° |
C1 | O5 | C5 | C4 | 58.6° | 67.5° |
C1 | O5 | C5 | H51 | 66.7° | 52.5° |
C1 | O5 | C5 | H52 | 176.1° | 172.3° |
O5 | C1 | O1 | C1' | 100.7° | 59.8° |
H1 | C1 | C2 | C3 | 61.7° | 58.9° |
H1 | C1 | C2 | O2 | 56.5° | 61.2° |
H1 | C1 | C2 | H2 | 176.1° | 178.7° |
H1 | C1 | O5 | C5 | 56.6° | 52.6° |
H1 | C1 | O1 | C1' | 21.1° | 59.9° |
C3 | C2 | O2 | H2 | 122.2° | 120.1° |
C2 | C3 | C4 | O3 | 122.0° | 120.0° |
C2 | C3 | C4 | H3 | 118.5° | 119.6° |
C2 | C3 | O3 | H3 | 118.5° | 120.3° |
C2 | C3 | C4 | C5 | 54.4° | 53.5° |
C2 | C3 | C4 | O4 | 176.1° | 173.5° |
C2 | C3 | C4 | H4 | 65.2° | 66.4° |
C3 | C2 | O2 | HO2 | 61.3° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
O2 | C2 | C3 | C4 | 179.5° | 173.5° |
O2 | C2 | C3 | O3 | 58.3° | 66.3° |
O2 | C2 | C3 | H3 | 61.2° | 54.0° |
H2 | C2 | C3 | C4 | 59.9° | 66.4° |
H2 | C2 | C3 | O3 | 61.3° | 53.8° |
H2 | C2 | C3 | H3 | 179.2° | 174.1° |
H2 | C2 | O2 | HO2 | 60.8° | 60.2° |
C4 | C3 | O3 | H3 | 119.5° | 120.3° |
C3 | C4 | C5 | O4 | 121.3° | 120.0° |
C3 | C4 | C5 | H4 | 120.0° | 119.9° |
C3 | C4 | O4 | H4 | 120.0° | 120.1° |
C3 | C4 | C5 | O5 | 51.7° | 61.1° |
C3 | C4 | C5 | H51 | 73.5° | 58.9° |
C3 | C4 | C5 | H52 | 176.9° | 178.7° |
C4 | C3 | O3 | HO3 | 58.0° | 60.6° |
C3 | C4 | O4 | HO4 | 180.0° | 179.8° |
O3 | C3 | C4 | C5 | 176.5° | 173.5° |
O3 | C3 | C4 | O4 | 61.9° | 66.5° |
O3 | C3 | C4 | H4 | 56.8° | 53.6° |
H3 | C3 | C4 | C5 | 64.1° | 66.1° |
H3 | C3 | C4 | O4 | 57.6° | 53.9° |
H3 | C3 | C4 | H4 | 176.3° | 174.0° |
H3 | C3 | O3 | HO3 | 61.5° | 59.7° |
C5 | C4 | O4 | H4 | 119.6° | 120.1° |
C4 | C5 | O5 | H51 | 125.3° | 120.0° |
C4 | C5 | O5 | H52 | 125.2° | 120.2° |
C4 | C5 | H51 | H52 | 117.5° | 119.8° |
C5 | C4 | O4 | HO4 | 59.6° | 60.1° |
O4 | C4 | C5 | O5 | 172.9° | 178.9° |
O4 | C4 | C5 | H51 | 47.7° | 61.1° |
O4 | C4 | C5 | H52 | 61.8° | 58.7° |
H4 | C4 | C5 | O5 | 68.3° | 58.8° |
H4 | C4 | C5 | H51 | 166.4° | 178.8° |
H4 | C4 | C5 | H52 | 56.9° | 61.4° |
H4 | C4 | O4 | HO4 | 60.0° | 60.0° |
O5 | C5 | H51 | H52 | 117.4° | 119.9° |
O1 | C1' | C2' | H1'1 | 125.3° | 119.9° |
O1 | C1' | C2' | H1'2 | 125.2° | 120.1° |
O1 | C1' | H1'1 | H1'2 | 116.3° | 120.0° |
O1 | C1' | C2' | C3' | 81.4° | 180.0° |
O1 | C1' | C2' | H2'1 | 153.4° | 60.1° |
O1 | C1' | C2' | H2'2 | 43.9° | 59.9° |
C2' | C1' | H1'1 | H1'2 | 116.2° | 120.1° |
C1' | C2' | C3' | H2'1 | 125.3° | 120.0° |
C1' | C2' | C3' | H2'2 | 125.3° | 120.1° |
C1' | C2' | H2'1 | H2'2 | 114.5° | 120.0° |
C1' | C2' | C3' | C4' | 62.7° | 178.6° |
C1' | C2' | C3' | O' | 58.9° | 112.4° |
C1' | C2' | C3' | H3' | 179.1° | 34.5° |
H1'1 | C1' | C2' | C3' | 43.9° | 60.1° |
H1'1 | C1' | C2' | H2'1 | 81.4° | 180.0° |
H1'1 | C1' | C2' | H2'2 | 169.2° | 60.0° |
H1'2 | C1' | C2' | C3' | 153.4° | 59.9° |
H1'2 | C1' | C2' | H2'1 | 28.1° | 60.0° |
H1'2 | C1' | C2' | H2'2 | 81.3° | 180.0° |
C3' | C2' | H2'1 | H2'2 | 114.4° | 120.0° |
C2' | C3' | C4' | O' | 120.7° | 106.9° |
C2' | C3' | C4' | H3' | 117.5° | 146.3° |
C2' | C3' | O' | H3' | 117.9° | 146.2° |
C2' | C3' | C4' | H4'1 | 4.7° | 0.0° |
C2' | C3' | C4' | H4'2 | 114.1° | 146.2° |
H2'1 | C2' | C3' | C4' | 62.6° | 58.6° |
H2'1 | C2' | C3' | O' | 175.8° | 7.5° |
H2'1 | C2' | C3' | H3' | 53.8° | 154.4° |
H2'2 | C2' | C3' | C4' | 172.0° | 61.3° |
H2'2 | C2' | C3' | O' | 66.4° | 127.5° |
H2'2 | C2' | C3' | H3' | 55.5° | 85.7° |
C4' | C3' | O' | H3' | 116.7° | 106.9° |
C3' | C4' | O' | H4'1 | 125.3° | 106.7° |
C3' | C4' | O' | H4'2 | 125.2° | 106.9° |
C3' | C4' | H4'1 | H4'2 | 141.4° | 146.9° |
H3' | C3' | C4' | H4'1 | 112.8° | 146.2° |
H3' | C3' | C4' | H4'2 | 3.5° | 0.0° |
O' | C4' | H4'1 | H4'2 | 141.4° | 147.1° |