FCA
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | O1 | sing | 1.43Å | 1.37Å | |
C1 | O5 | sing | 1.43Å | 1.50Å | |
C1 | H1 | sing | 1.09Å | 1.11Å | |
C2 | C3 | sing | 1.53Å | 1.49Å | |
C2 | O2 | sing | 1.43Å | 1.50Å | |
C2 | H2 | sing | 1.09Å | 1.11Å | |
C3 | C4 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.46Å | |
C3 | H3 | sing | 1.09Å | 1.12Å | |
C4 | C5 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | H4 | sing | 1.09Å | 1.12Å | |
C5 | C6 | sing | 1.53Å | 1.52Å | |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C5 | H5 | sing | 1.09Å | 1.11Å | |
C6 | H61 | sing | 1.09Å | 1.11Å | |
C6 | H62 | sing | 1.09Å | 1.12Å | |
C6 | H63 | sing | 1.09Å | 1.11Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | O1 | 112.7° | 109.4° |
C2 | C1 | O5 | 107.0° | 109.8° |
C2 | C1 | H1 | 109.0° | 109.4° |
C1 | C2 | C3 | 112.5° | 109.0° |
C1 | C2 | O2 | 109.3° | 109.5° |
C1 | C2 | H2 | 109.2° | 109.6° |
O1 | C1 | O5 | 109.5° | 109.4° |
O1 | C1 | H1 | 106.5° | 109.5° |
C1 | O1 | HO1 | 112.7° | 106.8° |
O5 | C1 | H1 | 112.2° | 109.4° |
C1 | O5 | C5 | 114.6° | 107.6° |
C3 | C2 | O2 | 113.8° | 109.6° |
C3 | C2 | H2 | 104.1° | 109.6° |
C2 | C3 | C4 | 107.7° | 108.6° |
C2 | C3 | O3 | 110.7° | 109.6° |
C2 | C3 | H3 | 110.3° | 109.6° |
O2 | C2 | H2 | 107.7° | 109.5° |
C2 | O2 | HO2 | 109.3° | 106.9° |
C4 | C3 | O3 | 110.7° | 109.7° |
C4 | C3 | H3 | 110.2° | 109.7° |
C3 | C4 | C5 | 109.1° | 109.0° |
C3 | C4 | O4 | 110.6° | 109.6° |
C3 | C4 | H4 | 109.1° | 109.6° |
O3 | C3 | H3 | 107.1° | 109.6° |
C3 | O3 | HO3 | 110.8° | 106.8° |
C5 | C4 | O4 | 110.0° | 109.7° |
C5 | C4 | H4 | 109.7° | 109.4° |
C4 | C5 | C6 | 116.0° | 109.4° |
C4 | C5 | O5 | 109.9° | 109.7° |
C4 | C5 | H5 | 103.0° | 109.4° |
O4 | C4 | H4 | 108.2° | 109.5° |
C4 | O4 | HO4 | 110.6° | 106.8° |
C6 | C5 | O5 | 103.8° | 109.4° |
C6 | C5 | H5 | 109.2° | 109.5° |
C5 | C6 | H61 | 116.0° | 109.5° |
C5 | C6 | H62 | 109.8° | 109.5° |
C5 | C6 | H63 | 109.9° | 109.5° |
O5 | C5 | H5 | 115.4° | 109.4° |
H61 | C6 | H62 | 109.8° | 109.5° |
H61 | C6 | H63 | 109.9° | 109.4° |
H62 | C6 | H63 | 100.3° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | O1 | O5 | 119.0° | 120.3° |
C2 | C1 | O1 | H1 | 119.4° | 119.8° |
C2 | C1 | O5 | H1 | 119.5° | 120.0° |
C1 | C2 | C3 | O2 | 124.9° | 119.9° |
C1 | C2 | C3 | H2 | 118.1° | 119.9° |
C1 | C2 | O2 | H2 | 118.5° | 120.2° |
C1 | C2 | C3 | C4 | 60.9° | 53.8° |
C1 | C2 | C3 | O3 | 177.9° | 173.7° |
C1 | C2 | C3 | H3 | 59.4° | 66.0° |
C2 | C1 | O5 | C5 | 57.3° | 67.6° |
C2 | C1 | O1 | HO1 | 179.9° | 179.6° |
C1 | C2 | O2 | HO2 | 179.9° | 60.0° |
O1 | C1 | O5 | H1 | 118.0° | 119.9° |
O1 | C1 | C2 | C3 | 62.4° | 58.8° |
O1 | C1 | C2 | O2 | 65.0° | 61.1° |
O1 | C1 | C2 | H2 | 177.5° | 178.7° |
O1 | C1 | O5 | C5 | 65.2° | 52.4° |
O5 | C1 | C2 | C3 | 58.1° | 61.3° |
O5 | C1 | C2 | O2 | 174.6° | 178.8° |
O5 | C1 | C2 | H2 | 57.0° | 58.6° |
C1 | O5 | C5 | C4 | 58.1° | 67.6° |
C1 | O5 | C5 | C6 | 177.2° | 172.3° |
C1 | O5 | C5 | H5 | 57.7° | 52.4° |
O5 | C1 | O1 | HO1 | 60.9° | 60.1° |
H1 | C1 | C2 | C3 | 179.6° | 178.7° |
H1 | C1 | C2 | O2 | 53.0° | 58.7° |
H1 | C1 | C2 | H2 | 64.6° | 61.4° |
H1 | C1 | O5 | C5 | 176.8° | 172.4° |
H1 | C1 | O1 | HO1 | 60.6° | 59.8° |
C3 | C2 | O2 | H2 | 114.8° | 120.3° |
C2 | C3 | C4 | O3 | 121.2° | 119.8° |
C2 | C3 | C4 | H3 | 120.4° | 119.8° |
C2 | C3 | O3 | H3 | 120.3° | 120.4° |
C2 | C3 | C4 | C5 | 58.0° | 53.9° |
C2 | C3 | C4 | O4 | 63.2° | 66.2° |
C2 | C3 | C4 | H4 | 177.9° | 173.6° |
C3 | C2 | O2 | HO2 | 53.3° | 179.5° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
O2 | C2 | C3 | C4 | 174.2° | 173.7° |
O2 | C2 | C3 | O3 | 52.9° | 66.5° |
O2 | C2 | C3 | H3 | 65.5° | 53.8° |
H2 | C2 | C3 | C4 | 57.2° | 66.0° |
H2 | C2 | C3 | O3 | 64.1° | 53.8° |
H2 | C2 | C3 | H3 | 177.5° | 174.1° |
H2 | C2 | O2 | HO2 | 61.6° | 60.2° |
C4 | C3 | O3 | H3 | 120.2° | 120.5° |
C3 | C4 | C5 | O4 | 121.6° | 120.0° |
C3 | C4 | C5 | H4 | 119.5° | 119.8° |
C3 | C4 | O4 | H4 | 119.5° | 120.2° |
C3 | C4 | C5 | C6 | 174.7° | 178.6° |
C3 | C4 | C5 | O5 | 57.4° | 61.3° |
C3 | C4 | C5 | H5 | 66.1° | 58.6° |
C4 | C3 | O3 | HO3 | 60.6° | 179.2° |
C3 | C4 | O4 | HO4 | 180.0° | 180.0° |
O3 | C3 | C4 | C5 | 179.3° | 173.7° |
O3 | C3 | C4 | O4 | 58.1° | 53.6° |
O3 | C3 | C4 | H4 | 60.8° | 66.6° |
H3 | C3 | C4 | C5 | 62.3° | 65.9° |
H3 | C3 | C4 | O4 | 176.4° | 174.0° |
H3 | C3 | C4 | H4 | 57.6° | 53.8° |
H3 | C3 | O3 | HO3 | 59.7° | 60.4° |
C5 | C4 | O4 | H4 | 119.9° | 120.1° |
C4 | C5 | C6 | O5 | 120.7° | 120.2° |
C4 | C5 | C6 | H5 | 115.7° | 119.9° |
C4 | C5 | O5 | H5 | 115.8° | 120.0° |
C4 | C5 | C6 | H61 | 179.9° | 179.9° |
C4 | C5 | C6 | H62 | 54.8° | 59.9° |
C4 | C5 | C6 | H63 | 54.7° | 60.1° |
C5 | C4 | O4 | HO4 | 59.3° | 60.3° |
O4 | C4 | C5 | C6 | 53.1° | 61.4° |
O4 | C4 | C5 | O5 | 64.2° | 58.7° |
O4 | C4 | C5 | H5 | 172.3° | 178.7° |
H4 | C4 | C5 | C6 | 65.8° | 58.8° |
H4 | C4 | C5 | O5 | 176.9° | 178.9° |
H4 | C4 | C5 | H5 | 53.4° | 61.2° |
H4 | C4 | O4 | HO4 | 60.5° | 59.8° |
C6 | C5 | O5 | H5 | 119.5° | 119.9° |
C5 | C6 | H61 | H62 | 125.2° | 120.0° |
C5 | C6 | H61 | H63 | 125.3° | 120.1° |
C5 | C6 | H62 | H63 | 115.7° | 120.1° |
O5 | C5 | C6 | H61 | 59.3° | 59.8° |
O5 | C5 | C6 | H62 | 175.5° | 179.8° |
O5 | C5 | C6 | H63 | 66.0° | 60.1° |
H5 | C5 | C6 | H61 | 64.2° | 60.0° |
H5 | C5 | C6 | H62 | 61.0° | 60.0° |
H5 | C5 | C6 | H63 | 170.4° | 180.0° |
H61 | C6 | H62 | H63 | 115.7° | 119.9° |