FB6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
B1 | C4 | sing | 1.57Å | 1.60Å | |
B1 | O2 | sing | 1.42Å | 1.37Å | |
C1 | O4 | sing | 1.34Å | 1.37Å | |
N1 | C2 | sing | 1.47Å | 1.45Å | |
N1 | HN1 | sing | 1.01Å | 1.00Å | |
N1 | HN1A | sing | 1.01Å | 1.00Å | |
O1 | C1 | doub | 1.21Å | 1.22Å | |
C2 | C1 | sing | 1.51Å | 1.53Å | |
C2 | C5 | sing | 1.53Å | 1.50Å | |
C2 | C6 | sing | 1.53Å | 1.50Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
O3 | B1 | sing | 1.42Å | 1.37Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | C3 | sing | 1.53Å | 1.49Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C4 | H4A | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H6 | sing | 1.09Å | 1.10Å | |
C6 | H6A | sing | 1.09Å | 1.10Å | |
C6 | H6B | sing | 1.09Å | 1.10Å | |
C7 | C3 | sing | 1.53Å | 1.49Å | |
C7 | C5 | sing | 1.53Å | 1.49Å | |
C7 | H7 | sing | 1.09Å | 1.10Å | |
C5 | H15 | sing | 1.09Å | 1.10Å | |
C7 | H16 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C4 | B1 | O2 | 118.8° | 120.0° |
C4 | B1 | O3 | 120.4° | 120.0° |
B1 | C4 | C3 | 115.7° | 109.4° |
B1 | C4 | H4 | 107.5° | 109.4° |
B1 | C4 | H4A | 107.4° | 109.5° |
B1 | O2 | HO2 | 109.5° | 114.0° |
O2 | B1 | O3 | 120.8° | 120.0° |
O4 | C1 | O1 | 120.0° | 120.0° |
O4 | C1 | C2 | 119.6° | 120.0° |
C1 | O4 | HO4 | 109.5° | 117.0° |
C2 | N1 | HN1 | 109.5° | 111.1° |
C2 | N1 | HN1A | 109.5° | 111.0° |
N1 | C2 | C1 | 104.9° | 109.4° |
N1 | C2 | C5 | 113.7° | 109.5° |
N1 | C2 | C6 | 114.2° | 109.5° |
HN1 | N1 | HN1A | 109.5° | 111.0° |
O1 | C1 | C2 | 120.3° | 120.0° |
C1 | C2 | C5 | 104.7° | 109.5° |
C1 | C2 | C6 | 104.8° | 109.5° |
C5 | C2 | C6 | 113.2° | 109.5° |
C2 | C5 | H5 | 106.8° | 109.5° |
C2 | C5 | C7 | 117.6° | 109.5° |
C2 | C5 | H15 | 106.8° | 109.4° |
C2 | C6 | H6 | 109.5° | 109.4° |
C2 | C6 | H6A | 109.5° | 109.5° |
C2 | C6 | H6B | 109.4° | 109.4° |
H3 | C3 | H3A | 111.9° | 109.5° |
H3 | C3 | C4 | 106.9° | 109.5° |
H3 | C3 | C7 | 106.9° | 109.5° |
H3A | C3 | C4 | 106.9° | 109.5° |
H3A | C3 | C7 | 106.9° | 109.5° |
B1 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | H4 | 107.4° | 109.5° |
C3 | C4 | H4A | 107.4° | 109.5° |
C4 | C3 | C7 | 117.5° | 109.5° |
H4 | C4 | H4A | 111.4° | 109.5° |
H5 | C5 | C7 | 106.8° | 109.5° |
H5 | C5 | H15 | 112.0° | 109.5° |
H6 | C6 | H6A | 109.5° | 109.5° |
H6 | C6 | H6B | 109.5° | 109.5° |
H6A | C6 | H6B | 109.5° | 109.5° |
C3 | C7 | C5 | 116.9° | 109.5° |
C3 | C7 | H7 | 107.1° | 109.5° |
C3 | C7 | H16 | 107.1° | 109.5° |
C5 | C7 | H7 | 107.1° | 109.4° |
C7 | C5 | H15 | 106.8° | 109.5° |
C5 | C7 | H16 | 107.1° | 109.5° |
H7 | C7 | H16 | 111.8° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C4 | B1 | O2 | O3 | 177.4° | 179.7° |
C4 | B1 | O2 | HO2 | 180.0° | 180.0° |
B1 | C4 | C3 | H3 | 27.3° | 60.0° |
B1 | C4 | C3 | H3A | 92.7° | 60.0° |
C4 | B1 | O3 | HO3 | 180.0° | 180.0° |
B1 | C4 | C3 | H4 | 120.0° | 120.0° |
B1 | C4 | C3 | H4A | 120.0° | 120.0° |
B1 | C4 | H4 | H4A | 117.4° | 120.0° |
B1 | C4 | C3 | C7 | 147.3° | 180.0° |
O2 | B1 | O3 | HO3 | 2.6° | 0.3° |
O2 | B1 | C4 | C3 | 85.5° | 150.0° |
O2 | B1 | C4 | H4 | 34.5° | 90.0° |
O2 | B1 | C4 | H4A | 154.5° | 30.0° |
O4 | C1 | C2 | N1 | 176.5° | 35.0° |
O4 | C1 | O1 | C2 | 176.8° | 180.0° |
O4 | C1 | C2 | C5 | 56.5° | 155.0° |
O4 | C1 | C2 | C6 | 62.9° | 85.0° |
C2 | N1 | HN1 | HN1A | 120.0° | 123.9° |
N1 | C2 | C1 | O1 | 6.7° | 145.0° |
N1 | C2 | C1 | C5 | 120.0° | 119.9° |
N1 | C2 | C1 | C6 | 120.6° | 120.0° |
N1 | C2 | C5 | C6 | 132.5° | 120.1° |
N1 | C2 | C5 | H5 | 175.0° | 65.0° |
N1 | C2 | C6 | H6 | 180.0° | 60.0° |
N1 | C2 | C6 | H6A | 60.0° | 180.0° |
N1 | C2 | C6 | H6B | 60.0° | 59.9° |
N1 | C2 | C5 | C7 | 55.0° | 55.1° |
N1 | C2 | C5 | H15 | 65.0° | 175.1° |
HN1 | N1 | C2 | C1 | 180.0° | 60.0° |
HN1 | N1 | C2 | C5 | 66.2° | 59.9° |
HN1 | N1 | C2 | C6 | 65.8° | 180.0° |
HN1A | N1 | C2 | C1 | 60.0° | 176.0° |
HN1A | N1 | C2 | C5 | 173.8° | 64.0° |
HN1A | N1 | C2 | C6 | 54.2° | 56.0° |
O1 | C1 | C2 | C5 | 126.7° | 25.0° |
O1 | C1 | C2 | C6 | 113.9° | 95.0° |
O1 | C1 | O4 | HO4 | 0.0° | 0.0° |
C1 | C2 | C5 | C6 | 113.6° | 120.0° |
C2 | C1 | O4 | HO4 | 176.8° | 180.0° |
C1 | C2 | C5 | H5 | 61.1° | 55.0° |
C1 | C2 | C6 | H6 | 65.8° | 180.0° |
C1 | C2 | C6 | H6A | 54.2° | 60.0° |
C1 | C2 | C6 | H6B | 174.2° | 60.0° |
C1 | C2 | C5 | C7 | 58.9° | 175.0° |
C1 | C2 | C5 | H15 | 178.9° | 65.0° |
C2 | C5 | H5 | C7 | 126.7° | 120.0° |
C2 | C5 | H5 | H15 | 116.6° | 119.9° |
C5 | C2 | C6 | H6 | 47.8° | 60.0° |
C5 | C2 | C6 | H6A | 167.8° | 60.0° |
C5 | C2 | C6 | H6B | 72.3° | 180.0° |
C2 | C5 | C7 | C3 | 169.6° | 180.0° |
C2 | C5 | C7 | H15 | 120.0° | 120.0° |
C2 | C5 | C7 | H7 | 70.4° | 60.0° |
C2 | C5 | C7 | H16 | 49.6° | 60.0° |
C6 | C2 | C5 | H5 | 52.6° | 175.0° |
C2 | C6 | H6 | H6A | 120.0° | 120.0° |
C2 | C6 | H6 | H6B | 120.0° | 119.9° |
C2 | C6 | H6A | H6B | 120.0° | 120.0° |
C6 | C2 | C5 | C7 | 172.5° | 65.0° |
C6 | C2 | C5 | H15 | 67.5° | 55.0° |
HO2 | O2 | B1 | O3 | 2.5° | 0.3° |
H3 | C3 | H3A | C4 | 116.7° | 120.0° |
H3 | C3 | H3A | C7 | 116.7° | 120.0° |
H3 | C3 | C4 | C7 | 120.0° | 120.0° |
H3 | C3 | C4 | H4 | 147.3° | 180.0° |
H3 | C3 | C4 | H4A | 92.7° | 60.0° |
H3 | C3 | C7 | C5 | 79.9° | 60.0° |
H3 | C3 | C7 | H7 | 160.1° | 179.9° |
H3 | C3 | C7 | H16 | 40.1° | 60.0° |
H3A | C3 | C4 | C7 | 120.0° | 120.0° |
H3A | C3 | C4 | H4 | 27.3° | 60.0° |
H3A | C3 | C4 | H4A | 147.3° | 180.0° |
H3A | C3 | C7 | C5 | 40.1° | 60.0° |
H3A | C3 | C7 | H7 | 79.9° | 60.0° |
H3A | C3 | C7 | H16 | 160.1° | 180.0° |
O3 | B1 | C4 | C3 | 92.0° | 30.3° |
O3 | B1 | C4 | H4 | 148.1° | 89.7° |
O3 | B1 | C4 | H4A | 28.1° | 150.3° |
C3 | C4 | H4 | H4A | 117.4° | 120.0° |
C4 | C3 | C7 | C5 | 160.1° | 180.0° |
C4 | C3 | C7 | H7 | 40.1° | 60.0° |
C4 | C3 | C7 | H16 | 79.9° | 60.0° |
H4 | C4 | C3 | C7 | 92.7° | 60.0° |
H4A | C4 | C3 | C7 | 27.3° | 60.0° |
H5 | C5 | C7 | C3 | 70.5° | 60.0° |
H5 | C5 | C7 | H15 | 120.1° | 120.0° |
H5 | C5 | C7 | H7 | 49.5° | 60.0° |
H5 | C5 | C7 | H16 | 169.5° | 180.0° |
H6 | C6 | H6A | H6B | 120.0° | 120.0° |
C3 | C7 | C5 | H7 | 120.0° | 120.0° |
C3 | C7 | C5 | H16 | 120.0° | 120.0° |
C3 | C7 | H7 | H16 | 117.0° | 120.0° |
C3 | C7 | C5 | H15 | 49.6° | 60.0° |
C5 | C7 | H7 | H16 | 117.0° | 120.0° |
H7 | C7 | C5 | H15 | 169.6° | 180.0° |
H15 | C5 | C7 | H16 | 70.4° | 60.0° |