LAO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C5 | O5 | sing | 1.43Å | 1.42Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
O5 | C1 | sing | 1.43Å | 1.41Å | |
O1 | C1 | sing | 1.43Å | 1.38Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C4 | O4 | sing | 1.43Å | 1.44Å | |
C4 | C3 | sing | 1.53Å | 1.42Å | |
C3 | C2 | sing | 1.53Å | 1.45Å | |
C3 | O3 | sing | 1.43Å | 1.48Å | |
C2 | O2 | sing | 1.43Å | 1.45Å | |
O2 | P | sing | 1.61Å | 1.60Å | |
P | OP1 | doub | 1.48Å | 1.51Å | |
P | OP3 | sing | 1.61Å | 1.49Å | |
P | OP2 | sing | 1.61Å | 1.57Å | |
OP2 | H1A | sing | 0.97Å | 0.95Å | |
OP3 | H2A | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O5 | C5 | C4 | 113.2° | 109.4° |
C5 | O5 | C1 | 117.4° | 114.1° |
O5 | C5 | H51 | 108.5° | 109.5° |
O5 | C5 | H52 | 108.5° | 109.4° |
C5 | C4 | O4 | 106.9° | 109.5° |
C5 | C4 | C3 | 114.1° | 109.2° |
C5 | C4 | H4 | 108.1° | 109.6° |
C4 | C5 | H51 | 108.5° | 109.5° |
C4 | C5 | H52 | 108.5° | 109.5° |
O5 | C1 | O1 | 109.9° | 109.4° |
O5 | C1 | C2 | 115.0° | 109.4° |
O5 | C1 | H1 | 106.4° | 109.5° |
O1 | C1 | C2 | 112.7° | 109.5° |
O1 | C1 | H1 | 106.9° | 109.5° |
C1 | O1 | HO1 | 109.5° | 114.0° |
C1 | C2 | C3 | 109.9° | 109.2° |
C1 | C2 | O2 | 109.2° | 109.5° |
C1 | C2 | H2 | 109.0° | 109.6° |
C2 | C1 | H1 | 105.3° | 109.4° |
O4 | C4 | C3 | 109.2° | 109.5° |
O4 | C4 | H4 | 109.1° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C3 | C2 | 117.2° | 109.0° |
C4 | C3 | O3 | 108.8° | 109.5° |
C4 | C3 | H3 | 106.6° | 109.6° |
C3 | C4 | H4 | 109.3° | 109.5° |
C2 | C3 | O3 | 111.4° | 109.6° |
C3 | C2 | O2 | 108.9° | 109.5° |
C3 | C2 | H2 | 109.9° | 109.5° |
C2 | C3 | H3 | 106.2° | 109.6° |
O3 | C3 | H3 | 105.9° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C2 | O2 | P | 126.1° | 123.0° |
O2 | C2 | H2 | 109.9° | 109.5° |
O2 | P | OP1 | 110.5° | 109.5° |
O2 | P | OP3 | 108.2° | 109.5° |
O2 | P | OP2 | 109.3° | 109.5° |
OP1 | P | OP3 | 110.2° | 109.5° |
OP1 | P | OP2 | 111.3° | 109.5° |
OP3 | P | OP2 | 107.4° | 109.5° |
P | OP3 | H2A | 109.5° | 114.1° |
P | OP2 | H1A | 109.5° | 114.0° |
H51 | C5 | H52 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O5 | C5 | C4 | H51 | 120.6° | 120.0° |
O5 | C5 | C4 | H52 | 120.5° | 120.0° |
C5 | O5 | C1 | O1 | 174.7° | 178.9° |
C5 | O5 | C1 | C2 | 46.3° | 61.1° |
O5 | C5 | C4 | O4 | 79.7° | 62.3° |
O5 | C5 | C4 | C3 | 41.1° | 57.6° |
O5 | C5 | C4 | H4 | 163.0° | 177.6° |
O5 | C5 | H51 | H52 | 118.3° | 120.0° |
C5 | O5 | C1 | H1 | 69.9° | 58.9° |
C4 | C5 | O5 | C1 | 42.4° | 61.1° |
C5 | C4 | O4 | C3 | 123.9° | 119.7° |
C5 | C4 | O4 | H4 | 116.7° | 120.2° |
C5 | C4 | C3 | H4 | 121.2° | 120.0° |
C5 | C4 | C3 | C2 | 46.3° | 57.0° |
C5 | C4 | C3 | O3 | 173.9° | 176.9° |
C5 | C4 | C3 | H3 | 72.4° | 62.9° |
C5 | C4 | O4 | HO4 | 180.0° | 60.4° |
C4 | C5 | H51 | H52 | 118.3° | 120.1° |
O5 | C1 | O1 | C2 | 129.6° | 120.0° |
O5 | C1 | O1 | H1 | 115.1° | 120.0° |
O5 | C1 | C2 | H1 | 116.8° | 120.0° |
O5 | C1 | C2 | C3 | 46.2° | 57.6° |
O5 | C1 | C2 | O2 | 165.6° | 177.5° |
O5 | C1 | C2 | H2 | 74.3° | 62.4° |
C1 | O5 | C5 | H51 | 162.9° | 58.9° |
C1 | O5 | C5 | H52 | 78.2° | 178.8° |
O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
O1 | C1 | C2 | H1 | 116.2° | 120.0° |
O1 | C1 | C2 | C3 | 173.3° | 177.5° |
O1 | C1 | C2 | O2 | 67.4° | 62.6° |
O1 | C1 | C2 | H2 | 52.7° | 57.6° |
C1 | C2 | C3 | C4 | 47.6° | 57.0° |
C1 | C2 | C3 | O2 | 119.6° | 119.9° |
C1 | C2 | C3 | H2 | 119.9° | 120.0° |
C1 | C2 | C3 | O3 | 173.9° | 176.8° |
C1 | C2 | O2 | H2 | 119.5° | 120.2° |
C1 | C2 | O2 | P | 134.7° | 120.1° |
C1 | C2 | C3 | H3 | 71.3° | 62.9° |
C2 | C1 | O1 | HO1 | 50.3° | 180.0° |
O4 | C4 | C3 | H4 | 119.3° | 120.1° |
O4 | C4 | C3 | C2 | 73.2° | 62.9° |
O4 | C4 | C3 | O3 | 54.4° | 57.0° |
O4 | C4 | C3 | H3 | 168.1° | 177.2° |
O4 | C4 | C5 | H51 | 40.9° | 177.8° |
O4 | C4 | C5 | H52 | 159.8° | 57.7° |
C4 | C3 | C2 | O3 | 126.3° | 119.8° |
C4 | C3 | C2 | H3 | 118.9° | 119.9° |
C4 | C3 | O3 | H3 | 114.2° | 120.2° |
C4 | C3 | C2 | O2 | 167.2° | 176.9° |
C4 | C3 | C2 | H2 | 72.3° | 63.0° |
C4 | C3 | O3 | HO3 | 180.0° | 60.5° |
C3 | C4 | O4 | HO4 | 56.1° | 180.0° |
C3 | C4 | C5 | H51 | 161.7° | 62.3° |
C3 | C4 | C5 | H52 | 79.4° | 177.6° |
C2 | C3 | O3 | H3 | 115.0° | 120.3° |
C3 | C2 | O2 | H2 | 120.5° | 120.1° |
C3 | C2 | O2 | P | 105.3° | 120.2° |
C2 | C3 | O3 | HO3 | 49.2° | 180.0° |
C2 | C3 | C4 | H4 | 167.5° | 177.0° |
C3 | C2 | C1 | H1 | 70.6° | 62.4° |
O3 | C3 | C2 | O2 | 66.6° | 63.3° |
O3 | C3 | C2 | H2 | 53.9° | 56.8° |
O3 | C3 | C4 | H4 | 64.9° | 63.2° |
C2 | O2 | P | OP1 | 39.2° | 55.0° |
C2 | O2 | P | OP3 | 159.9° | 175.0° |
C2 | O2 | P | OP2 | 83.5° | 65.0° |
O2 | C2 | C3 | H3 | 48.3° | 57.0° |
O2 | C2 | C1 | H1 | 48.8° | 57.5° |
O2 | P | OP1 | OP3 | 119.5° | 120.0° |
O2 | P | OP1 | OP2 | 121.6° | 120.0° |
O2 | P | OP3 | OP2 | 117.8° | 120.0° |
O2 | P | OP2 | H1A | 122.2° | 60.0° |
O2 | P | OP3 | H2A | 120.8° | 180.0° |
P | O2 | C2 | H2 | 15.2° | 0.0° |
OP1 | P | OP3 | OP2 | 121.3° | 120.0° |
OP1 | P | OP2 | H1A | 0.0° | 180.0° |
OP1 | P | OP3 | H2A | 0.0° | 59.9° |
OP3 | P | OP2 | H1A | 120.7° | 60.0° |
OP2 | P | OP3 | H2A | 121.3° | 60.0° |
H2 | C2 | C3 | H3 | 168.8° | 177.1° |
H2 | C2 | C1 | H1 | 168.9° | 177.6° |
H3 | C3 | O3 | HO3 | 65.8° | 59.7° |
H3 | C3 | C4 | H4 | 48.8° | 57.0° |
H4 | C4 | O4 | HO4 | 63.3° | 59.8° |
H4 | C4 | C5 | H51 | 76.4° | 57.6° |
H4 | C4 | C5 | H52 | 42.5° | 62.4° |
H1 | C1 | O1 | HO1 | 64.9° | 60.0° |